Immunology

Cas#: 14343-71-6        Compound CID:  57369566

Formula:  C₁₇H₂₂N₄O₁₂        Molecular Weight: 474.38

IUPAC Name: 2,3-dihydroxybutanedioic acid;5-(morpholin-4-ylmethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

SMILES: C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].C(C(C(=O)O)O)(C(=O)O)O

InChIKey: NUQMJOZPYRELIB-UHFFFAOYSA-N

InChI: InChI=1S/C13H16N4O6.C4H6O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;5-1(3(7)8)2(6)4(9)10/h1-2,7,11H,3-6,8-9H2;1-2,5-6H,(H,7,8)(H,9,10)

Cas#: 100324-81-0        Compound CID:  501254

Formula:  C₁₃H₂₀N₄O₃        Molecular Weight: 280.32

IUPAC Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione

SMILES: CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChIKey: NSMXQKNUPPXBRG-SECBINFHSA-N

InChI: InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1

Cas#: 6493-06-7        Compound CID:  57782

Formula:  C₁₃H₂₀N₄O₃        Molecular Weight: 280.3

IUPAC Name: 1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione

SMILES: CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChIKey: NSMXQKNUPPXBRG-UHFFFAOYSA-N

InChI: InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3

Cas#: 50-86-2        Compound CID:  65509

Formula:  C₉H₉NO₄        Molecular Weight: 195.17

IUPAC Name: 4-acetamido-2-hydroxybenzoic acid

SMILES: CC(=O)NC1=CC(=C(C=C1)C(=O)O)O

InChIKey: YBTVSGCNBZPRBD-UHFFFAOYSA-N

InChI: InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)

Cas#: 870087-36-8        Compound CID:  11527330

Formula:  C₂₅H₃₄N₆O₈S₂        Molecular Weight: 610.7

IUPAC Name: methanesulfonic acid;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

SMILES: CC1=CC(=CC=C1)C=NNC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4.CS(=O)(=O)O.CS(=O)(=O)O

InChIKey: GAJWNIKZLYZYSY-OKUPSQOASA-N

InChI: InChI=1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;

Cas#: 2375-03-3        Compound CID:  23680530

Formula:  C₂₆H₃₃NaO₈        Molecular Weight: 496.53

IUPAC Name: sodium;4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate

SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)[O-])O.[Na+]

InChIKey: FQISKWAFAHGMGT-SGJOWKDISA-M

InChI: InChI=1S/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1

Cas#: 941987-60-6        Compound CID:  7616033

Formula:  C₁₇H₁₇N₃O        Molecular Weight: 279.34

IUPAC Name: 1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea

SMILES: CCC1=CC=C(C=C1)NC(=O)NC2=CNC3=CC=CC=C32

InChIKey: UJZDIKVQFMCLBE-UHFFFAOYSA-N

InChI: InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)

Cas#: 1706522-79-3        Compound CID:  121230770

Formula:  C₂₇H₃₁NO₄S•HCl        Molecular Weight: 502.07

IUPAC Name: [(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride

SMILES: CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCCC3CO)CS(=O)(=O)C4=CC=CC=C4.Cl

InChIKey: WNKWAZFYPZMDGJ-VQIWEWKSSA-N

InChI: InChI=1S/C27H31NO4S.ClH/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29;/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3;1H/t25-;/m1./s1

Cas#: 163239-22-3        Compound CID:  10014426

Formula:  C₁₅H₁₁FN₂        Molecular Weight: 238.26

IUPAC Name: 6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole

SMILES: C1=CC(=CN=C1)C=CC2=CNC3=C2C=CC(=C3)F

InChIKey: YBSDQTBCNYWBMX-ONEGZZNKSA-N

InChI: InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+

Cas#: 26305-03-3（free）       

Formula:  C₃₆H₆₄N₅O₁₁F₃        Molecular Weight: 799.9

IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid

SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

InChIKey: FAXGPCHRFPCXOO-LXTPJMTPSA-N

InChI: 1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1

Cas#: 54863-37-5        Compound CID:  12714644

Formula:  C₄H₇NO₂S        Molecular Weight: 133.17

IUPAC Name: 3-methylsulfonylpropanenitrile

SMILES: CS(=O)(=O)CCC#N

InChIKey: LQFRYKBDZNPJSW-UHFFFAOYSA-N

InChI: InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3

Cas#: 702662-50-8        Compound CID:  5077622

Formula:  C₂₁H₁₆ClFN₂O₃S        Molecular Weight: 430.88

IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide

SMILES: C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F

InChIKey: NAGKYJATVFXZKN-UHFFFAOYSA-N

InChI: InChI=1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)