DNA / RNA

Cas#: 100986-85-4        Compound CID:  149096

Formula:  C₁₈H₂₀FN₃O₄        Molecular Weight: 361.37

IUPAC Name: (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O

InChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-N

InChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1

Cas#: 6865-14-1        Compound CID:  363417

Formula:  C₂₃H₄₆NO₄·Cl        Molecular Weight: 436.07

IUPAC Name: (3-carboxy-2-hexadecanoyloxypropyl)-trimethylazanium;chloride

SMILES: CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

InChIKey: GAMKNLFIHBMGQT-UHFFFAOYSA-N

InChI: InChI=1S/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4;/h21H,5-20H2,1-4H3;1H

Cas#: 59-14-3        Compound CID:  6035

Formula:  C₉H₁₁BrN₂O₅        Molecular Weight: 307.1

IUPAC Name: 5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O

InChIKey: WOVKYSAHUYNSMH-RRKCRQDMSA-N

InChI: InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Cas#: 130-26-7        Compound CID:  2788

Formula:  C₉H₅ClINO        Molecular Weight: 305.5

IUPAC Name: 5-chloro-7-iodoquinolin-8-ol

SMILES: C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1

InChIKey: QCDFBFJGMNKBDO-UHFFFAOYSA-N

InChI: InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

Cas#: 154675-18-0        Compound CID:  3568

Formula:  C₁₆H₁₈O₈        Molecular Weight: 338.3

IUPAC Name: 5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol

SMILES: COCC1=CC(=C(C(=C1C2=C(C(=C(C=C2COC)O)O)O)O)O)O

InChIKey: NEBCAMAQXZIVRE-UHFFFAOYSA-N

InChI: InChI=1S/C16H18O8/c1-23-5-7-3-9(17)13(19)15(21)11(7)12-8(6-24-2)4-10(18)14(20)16(12)22/h3-4,17-22H,5-6H2,1-2H3

Cas#: 41575-94-4        Compound CID:  426756

Formula:  C₆H₁₂N₂O₄Pt        Molecular Weight: 371.25

IUPAC Name: azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

SMILES: C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]

InChIKey: VSRXQHXAPYXROS-UHFFFAOYSA-N

InChI: InChI=1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+2

Cas#: 97322-87-7        Compound CID:  5591

Formula:  C₂₄H₂₇NO₅S        Molecular Weight: 441.54

IUPAC Name: 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

SMILES: CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C

InChIKey: GXPHKUHSUJUWKP-UHFFFAOYSA-N

InChI: InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)

Cas#: 86639-52-3        Compound CID:  104842

Formula:  C₂₂H₂₀N₂O₅        Molecular Weight: 392.4

IUPAC Name: (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)O

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

InChI: InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1

Cas#: 148-24-3        Compound CID:  1923

Formula:  C₉H₇NO        Molecular Weight: 145.16

IUPAC Name: quinolin-8-ol

SMILES: C1=CC2=C(C(=C1)O)N=CC=C2

InChIKey: MCJGNVYPOGVAJF-UHFFFAOYSA-N

InChI: InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H

Cas#: 923564-51-6        Compound CID:  24978538

Formula:  C₄₇H₅₅ClF₃N₅O₆S₃        Molecular Weight: 974.61

IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

SMILES: CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C

InChIKey: JLYAXFNOILIKPP-KXQOOQHDSA-N

InChI: InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1

Cas#: 357166-30-4        Compound CID:  135564527

Formula:  C₂₀H₂₁N₅O₆·5/2H₂O·2Na        Molecular Weight: 516.42

IUPAC Name: tetrasodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;pentahydrate

SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]

InChIKey: ZCTCZKWJFTYNMZ-WKUCUCPSSA-J

InChI: InChI=1S/2C20H21N5O6.4Na.5H2O/c2*21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h2*1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;;;5*1H2/q;;4*+1;;;;;/p-4/t2*13-;;;;;;;;;/m00........./s1

Cas#: 129075-73-6       

Formula:  C₁₈H₂₆N₂O₂        Molecular Weight: 302.41

IUPAC Name: 5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one

SMILES: C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O

InChIKey: RVOUDNBEIXGHJY-UHFFFAOYSA-N

InChI: InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)