(4S,7S,10S,13S,43S,46S,49S,52S,55S,59S,62S,65S,68S,71S,74S,77S,80S,86S,89S,93S,97S,100S,103S,106S,109S,112S,115S,118S,121S,124S,130S)-62-((1H-indol-3-yl)methyl)-130-((S)-2-acetamido-4-methylpentanamido)-43,71,100-tris(5-acetamidopentyl)-13,46,49,74,103,115-hexakis(4-aminobutyl)-97-sec-butyl-77-butyl-7,10,86,118,124-pentakis(2-carboxyethyl)-52,109,121-tris(3-guanidinopropyl)-65-((R)-1-hydroxyethyl)-59,68-bis(hydroxymethyl)-112-isopropyl-55,89,93,106-tetramethyl-80-(2-(methylthio)ethyl)-4-nonadecanoyl-6,9,12,15,24,33,42,45,48,51,54,58,61,64,67,70,73,76,79,82,85,88,92,96,99,102,105,108,111,114,117,120,123,126,129-pentatriacontaoxo-17,20,26,29,35,38-hexaoxa-5,8,11,14,23,32,41,44,47,50,53,57,60,63,66,69,72,75,78,81,84,87,91,95,98,101,104,107,110,113,116,119,122,125,128-pentatriacontaazatritriacontahectane-1,133-dioic acid

ID: ALA4745611

PubChem CID: 162648163

Max Phase: Preclinical

Molecular Formula: C222H388N56O64S

Molecular Weight: 4897.94

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CCCCCCCCCCCCCCCCCCC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O

Standard InChI: InChI=1S/C222H388N56O64S/c1-19-22-24-25-26-27-28-29-30-31-32-33-34-35-36-43-79-173(286)148(80-87-179(292)293)255-208(325)165(84-91-183(300)301)271-210(327)167(86-93-185(304)305)269-198(315)150(70-46-52-95-223)254-178(291)132-342-118-115-338-111-108-239-176(289)130-340-116-113-337-110-107-238-177(290)131-341-117-114-339-112-109-240-193(310)149(67-40-37-58-101-235-141(14)282)259-201(318)154(72-48-54-97-225)263-203(320)156(74-50-56-99-227)264-204(321)160(77-62-105-242-221(231)232)256-190(307)138(11)124-246-196(313)171(128-279)274-215(332)170(121-145-125-244-147-66-45-44-64-146(145)147)273-219(336)188(140(13)281)278-216(333)172(129-280)275-206(323)153(68-41-38-59-102-236-142(15)283)261-202(319)155(73-49-55-98-226)262-199(316)151(65-23-20-2)260-211(328)168(94-119-343-18)253-175(288)127-248-194(311)162(81-88-180(294)295)257-191(308)137(10)123-245-189(306)136(9)122-247-217(334)187(135(8)21-3)277-213(330)157(69-42-39-60-103-237-143(16)284)265-200(317)152(71-47-53-96-224)258-192(309)139(12)250-197(314)159(76-61-104-241-220(229)230)272-218(335)186(134(6)7)276-212(329)158(75-51-57-100-228)266-209(326)166(85-92-184(302)303)270-205(322)161(78-63-106-243-222(233)234)267-207(324)164(83-90-182(298)299)252-174(287)126-249-195(312)163(82-89-181(296)297)268-214(331)169(120-133(4)5)251-144(17)285/h44-45,64,66,125,133-140,148-172,186-188,244,279-281H,19-43,46-63,65,67-124,126-132,223-228H2,1-18H3,(H,235,282)(H,236,283)(H,237,284)(H,238,290)(H,239,289)(H,240,310)(H,245,306)(H,246,313)(H,247,334)(H,248,311)(H,249,312)(H,250,314)(H,251,285)(H,252,287)(H,253,288)(H,254,291)(H,255,325)(H,256,307)(H,257,308)(H,258,309)(H,259,318)(H,260,328)(H,261,319)(H,262,316)(H,263,320)(H,264,321)(H,265,317)(H,266,326)(H,267,324)(H,268,331)(H,269,315)(H,270,322)(H,271,327)(H,272,335)(H,273,336)(H,274,332)(H,275,323)(H,276,329)(H,277,330)(H,278,333)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H4,229,230,241)(H4,231,232,242)(H4,233,234,243)/t135-,136-,137-,138-,139-,140+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,186-,187-,188-/m0/s1

Standard InChI Key: WEUNNWBKSKIADW-IOJYLXLSSA-N

Molfile:

 
     RDKit          2D

343344  0  0  0  0  0  0  0  0999 V2000
   43.1035    4.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8905    4.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0909    3.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8777    3.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0824    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8693    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0697    1.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8608    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0612    0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8482    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0527   -0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8397   -0.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0398   -1.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4580   -0.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6578   -0.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0760   -0.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2758   -0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6942    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8993    5.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1117    5.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5258    6.5233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.7297    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1439    6.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3563    7.6965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.7746    8.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9871    9.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7827    9.2848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.9956   10.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7958   10.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0085   11.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.8042   11.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0170   12.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8124   12.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.0255   13.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.8251   13.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.0382   14.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.8335   14.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.0467   15.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.8423   15.3617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   49.4282   14.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.2243   14.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.8102   14.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.6063   14.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.1920   14.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.9881   14.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.5740   13.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.3701   13.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.9560   13.3022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   54.7435   12.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.3252   11.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.1169   11.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.6987   10.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.4862    9.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.0721    9.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.8597    8.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.4413    7.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.2289    6.9844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   56.8148    6.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.6024    5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.1841    5.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.9758    4.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.5575    3.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.3451    2.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.9310    2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.7185    1.4615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   58.3003    0.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.0875    0.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.1002    1.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.8066    5.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   55.5939    4.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.7937    4.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.5809    3.5821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.7852    3.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.5727    2.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.7728    2.3526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   52.5601    1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.7640    1.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.5513    0.5472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.7555    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.5431   -0.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.7429   -0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.1611   -0.1047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.3609   -0.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.7793    0.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.9790    0.0534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.3973    0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5971    0.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0154    1.0005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.2152    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6335    1.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8336    1.1602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.6208    0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8247    0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6120   -0.6570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.8162   -0.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6038   -1.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1856   -2.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9730   -3.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5589   -3.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3465   -4.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9283   -5.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7199   -5.8107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.3017   -6.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0890   -7.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1016   -6.1815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.8039   -1.8824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.5912   -2.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7951   -2.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5827   -3.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.1686   -4.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9561   -5.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1562   -5.2890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.9435   -6.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1474   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9347   -7.0997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.1348   -7.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9220   -8.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1266   -8.3253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.9138   -9.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1178   -9.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9050  -10.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1051  -10.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8927  -11.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0966  -11.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5107  -10.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.7147  -10.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5022  -11.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7061  -12.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1203  -11.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3243  -11.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7384  -11.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9426  -11.2732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.7299  -12.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9297  -12.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7169  -13.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9215  -13.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7084  -14.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9130  -14.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6999  -15.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9003  -15.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6876  -16.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -16.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2735  -16.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3479  -11.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5477  -11.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9661  -11.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1659  -11.5474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.5841  -10.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7839  -11.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2021  -10.5951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4019  -10.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8203  -10.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0201  -10.4401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4383   -9.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6381  -10.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0563   -9.4880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2561   -9.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6745   -9.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8743   -9.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2925   -8.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4923   -8.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2837   -9.7663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838   -9.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9020   -9.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1021   -9.6107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8894  -10.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0934  -10.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8809  -11.4211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4627  -12.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2499  -12.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4545  -13.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417  -13.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456  -14.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2329  -14.8279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4330  -15.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2206  -15.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248  -16.0535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2121  -16.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4163  -17.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7938  -17.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8065  -16.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6025  -16.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1884  -16.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153  -15.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8512  -14.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8597  -13.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638  -13.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4779  -13.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6821  -13.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906  -12.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8276  -14.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2625  -11.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5075  -10.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118  -10.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990  -11.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6991  -11.2656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0807  -11.6365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4753  -10.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1103   -8.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287   -8.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7326   -8.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1467   -7.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3465   -7.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1379   -8.6590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647   -7.2776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711  -10.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9105   -8.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1230   -7.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5372   -7.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7499   -6.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7414   -7.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5053   -7.9556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8872   -8.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6827   -8.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8957   -7.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6953   -7.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9084   -6.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0434  -10.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4298  -10.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0116  -11.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6299  -11.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6510   -9.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0330   -9.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8284   -9.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0415   -8.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8411   -8.2037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0538   -7.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4679   -6.8222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8496   -7.1889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1892  -11.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5711  -11.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7968  -10.1659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1788  -10.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9742  -10.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1873   -9.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9827   -9.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1957   -8.5108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3350  -12.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3116  -12.6504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9508  -10.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7466  -10.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3649   -9.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5777   -8.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1114  -12.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0881  -12.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1288  -10.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4785  -11.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5234   -9.7693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5319   -8.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7443   -7.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1584   -7.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3712   -6.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3627   -7.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4996   -9.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.5530   -6.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5615   -5.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7740   -4.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1922   -4.3372    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   36.4049   -3.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5293   -6.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5378   -5.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3253   -6.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9112   -7.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6985   -7.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9643   -4.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.2092   -2.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4131   -2.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8273   -1.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0313   -2.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4454   -1.5749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.1771   -3.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.2303   -0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.2430    0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4431    0.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.2067   -0.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.8459    2.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6417    2.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.2600    2.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0024   -0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.3847   -0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.9705   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7812   -0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.1489   -1.5673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.5713   -2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8421   -1.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1890   -2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1890   -3.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.9265   -3.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.6177   -2.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.6100    1.4337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.9920    1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.7874    1.2784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.1482   -1.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.1248   -1.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.1696    0.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.1824    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.3906    2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.8089    3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.0213    4.1054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.4354    4.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.6397    4.4728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.6482    5.4859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.1460    0.9721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   54.1545    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.9547    2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.5364    1.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.3366    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.9183    1.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   53.1993    3.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   54.2119    4.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.4244    5.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.8385    6.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.0510    7.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.4651    7.7240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   56.1756    4.0071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   57.6106    6.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.9478   12.2919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.2155   13.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.3859   10.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3774    9.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1776    9.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7594    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5596    9.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.1414    8.9789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.4138   10.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.4012    9.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6051    9.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0192   10.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2234    9.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.2319   10.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.9747    8.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3481    6.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1350    5.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3393    5.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1265    4.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.7535    6.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.5170    5.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.9074    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1202    6.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5385    7.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7512    8.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.7386    7.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.4851    4.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 19  1  1  0
 20 19  1  0
 21 20  1  0
 22 21  1  0
 23 22  1  0
 24 23  1  0
 25 24  1  0
 26 25  1  0
 26 27  1  6
 28 27  1  0
 29 28  1  0
 30 29  1  0
 31 30  1  0
 32 31  1  0
 33 32  1  0
 34 33  1  0
 35 34  1  0
 36 35  1  0
 37 36  1  0
 38 37  1  0
 38 39  1  0
 40 39  1  0
 41 40  1  0
 42 41  1  0
 43 42  1  0
 44 43  1  0
 45 44  1  0
 46 45  1  0
 47 46  1  0
 47 48  1  0
 49 48  1  0
 50 49  1  0
 51 50  1  0
 52 51  1  0
 53 52  1  0
 54 53  1  0
 55 54  1  0
 56 55  1  0
 57 56  1  0
 58 57  1  0
 59 58  1  0
 60 59  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  1  0
 66 68  2  0
 59 69  1  6
 70 69  1  0
 71 70  1  0
 72 71  1  0
 73 72  1  0
 74 73  1  0
 75 74  1  0
 76 75  1  0
 77 76  1  0
 78 77  1  0
 79 78  1  0
 80 79  1  0
 81 80  1  0
 82 81  1  0
 83 82  1  0
 84 83  1  0
 85 84  1  0
 86 85  1  0
 87 86  1  0
 88 87  1  0
 89 88  1  0
 90 89  1  1
 91 90  1  0
 92 91  1  0
 93 92  1  0
 94 93  1  0
 95 94  1  0
 96 95  1  0
 97 96  1  0
 97 98  1  0
 98 99  1  0
 99100  1  0
100101  1  0
101102  1  0
102103  1  0
103104  1  0
103105  2  0
 96106  1  6
107106  1  0
108107  1  0
109108  1  0
110109  1  0
110111  1  0
111112  1  0
113112  1  0
114113  1  0
115114  1  0
116115  1  0
117116  1  0
118117  1  0
119118  1  0
120119  1  0
121120  1  0
122121  1  0
123122  1  0
124123  1  0
125124  1  0
126125  1  0
127126  1  0
128127  1  0
129128  1  0
130129  1  0
131130  1  1
132131  1  0
133132  1  0
134133  1  0
135134  1  0
135136  1  0
136137  1  0
137138  1  0
138139  1  0
139140  1  0
140141  1  0
141142  1  0
141143  2  0
134144  1  6
145144  1  0
146145  1  0
147146  1  0
148147  1  0
149148  1  0
150149  1  0
151150  1  0
152151  1  0
153152  1  0
154153  1  0
155154  1  0
156155  1  0
157156  1  0
158157  1  0
159158  1  0
160159  1  0
161160  1  0
161162  1  1
163162  1  0
164163  1  0
165164  1  0
166165  1  0
167166  1  0
167168  1  1
169168  1  0
170169  1  0
171170  1  0
172171  1  0
173172  1  0
173174  1  1
175174  1  0
176175  1  0
176177  1  6
177178  1  0
178179  1  0
178180  2  0
176181  1  0
181182  1  0
182183  1  0
182184  1  0
175185  2  0
173186  1  0
186187  1  0
187188  1  0
188189  2  0
188190  1  0
172191  2  0
169192  2  0
167193  1  0
193194  1  0
194195  1  0
195196  2  0
195197  1  0
166198  2  0
164199  1  1
199200  1  0
200201  1  0
201202  1  0
202203  1  0
203204  1  0
203205  2  0
163206  2  0
161207  1  0
207208  1  0
208209  1  0
209210  2  0
209211  1  0
160212  2  0
158213  1  1
213214  1  0
214215  1  0
215216  1  0
216217  1  0
157218  2  0
155219  1  6
219220  1  0
219221  1  0
154222  2  0
152223  1  1
223224  1  0
224225  1  0
225226  1  0
226227  1  0
227228  1  0
227229  2  0
151230  2  0
149231  1  6
148232  2  0
146233  1  1
233234  1  0
234235  1  0
235236  1  0
236237  1  0
145238  2  0
133239  2  0
131240  1  0
240241  1  6
240242  1  0
242243  1  0
130244  2  0
127245  1  1
126246  2  0
123247  1  1
122248  2  0
120249  1  1
249250  1  0
250251  1  0
251252  2  0
251253  1  0
119254  2  0
116255  2  0
114256  1  1
256257  1  0
257258  1  0
258259  1  0
113260  2  0
111261  1  6
261262  1  0
262263  1  0
263264  1  0
110265  2  0
108266  1  1
266267  1  0
267268  1  0
268269  1  0
269270  1  0
107271  2  0
 95272  2  0
 93273  1  1
273274  1  0
 92275  2  0
 90276  1  0
276277  1  1
276278  1  0
 89279  2  0
 87280  1  6
280281  1  0
282281  2  0
283282  1  0
284283  1  0
285284  2  0
281285  1  0
286285  1  0
287286  2  0
288287  1  0
289288  2  0
284289  1  0
 86290  2  0
 84291  1  1
291292  1  0
 83293  2  0
 80294  1  1
 79295  2  0
 77296  1  1
296297  1  0
297298  1  0
298299  1  0
299300  1  0
300301  1  0
300302  2  0
 76303  2  0
 74304  1  6
304305  1  0
305306  1  0
306307  1  0
307308  1  0
 73309  2  0
 71310  1  1
310311  1  0
311312  1  0
312313  1  0
313314  1  0
 70315  2  0
 58316  2  0
 49317  2  0
 40318  2  0
 31319  2  0
 29320  1  1
320321  1  0
321322  1  0
322323  1  0
323324  1  0
 28325  2  0
 26326  1  0
326327  1  0
327328  1  0
328329  2  0
328330  1  0
 25331  2  0
 23332  1  6
332333  1  0
333334  1  0
334335  2  0
334336  1  0
 22337  2  0
 20338  1  1
338339  1  0
339340  1  0
340341  2  0
340342  1  0
 19343  2  0
M  END

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 4897.94	Molecular Weight (Monoisotopic): 4894.8549	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

References

1. Mallart S,Ingenito R,Bianchi E,Bresciani A,Esposito S,Gallo M,Magotti P,Monteagudo E,Orsatti L,Roversi D,Santoprete A,Tucci F,Veneziano M,Bartsch R,Boehm C,Brasseur D,Bruneau P,Corbier A,Froissant J,Gauzy-Lazo L,Gervat V,Marguet F,Menguy I,Minoletti C,Nicolas MF,Pasquier O,Poirier B,Raux A,Riva L,Janiak P,Strobel H,Duclos O,Illiano S. (2021) Identification of Potent and Long-Acting Single-Chain Peptide Mimetics of Human Relaxin-2 for Cardiovascular Diseases., 64 (4.0): [PMID:33555858] [10.1021/acs.jmedchem.0c01533]
2. Wilson, Kenneth J and 15 more authors. 2018-08-05 Optimization of the first small-molecule relaxin/insulin-like family peptide receptor (RXFP1) agonists: Activation results in an antifibrotic gene expression profile. [PMID:30006176]
3. Mallart, Sergio and 32 more authors. 2021-02-25 Identification of Potent and Long-Acting Single-Chain Peptide Mimetics of Human Relaxin-2 for Cardiovascular Diseases. [PMID:33555858]

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Biocomponents

Calculated Properties

References

Source