 | | 7HL | | Name: | 2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid | | Formula: | C21 H16 Cl N O4 | | SMILES: | c3c(C(Nc1c(cccc1OCc2ccc(cc2)Cl)C(=O)O)=O)cccc3 | | InChi: | InChI=1S/C21H16ClNO4/c22-16-11-9-14(10-12-16)13-27-18-8-4-7-17(21(25)26)19(18)23-20(24)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,24)(H,25,26) | | Definition date: | 2016-10-28 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid |
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 | | 7HM | | Name: | 3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid | | Formula: | C22 H16 Cl N O4 | | SMILES: | C(Oc1c(c(ccc1)C(O)=O)N2Cc3c(C2=O)cccc3)c4ccc(cc4)Cl | | InChi: | InChI=1S/C22H16ClNO4/c23-16-10-8-14(9-11-16)13-28-19-7-3-6-18(22(26)27)20(19)24-12-15-4-1-2-5-17(15)21(24)25/h1-11H,12-13H2,(H,26,27) | | Definition date: | 2016-10-28 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid |
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 | | 7HO | | Name: | 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid | | Formula: | C23 H18 Cl N O7 | | SMILES: | C(Oc1c(c(ccc1)C(=O)O)NC(=O)c2ccccc2OCC(O)=O)c3ccc(cc3)Cl | | InChi: | InChI=1S/C23H18ClNO7/c24-15-10-8-14(9-11-15)12-31-19-7-3-5-17(23(29)30)21(19)25-22(28)16-4-1-2-6-18(16)32-13-20(26)27/h1-11H,12-13H2,(H,25,28)(H,26,27)(H,29,30) | | Definition date: | 2016-10-28 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid |
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 | | 7JT | | Name: | (3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide | | Formula: | C19 H23 N3 O5 | | SMILES: | N(C(CC(c1onc(n1)Cc2cc3c(cc2)OCO3)CC4CCCC4)=O)O | | InChi: | InChI=1S/C19H23N3O5/c23-18(21-24)10-14(7-12-3-1-2-4-12)19-20-17(22-27-19)9-13-5-6-15-16(8-13)26-11-25-15/h5-6,8,12,14,24H,1-4,7,9-11H2,(H,21,23)/t14-/m1/s1 | | Definition date: | 2016-05-09 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | (3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide |
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 | | 7KF | | Name: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one | | Formula: | C19 H24 N6 O | | SMILES: | c4cc(Nc2c1c(CNC1=O)nc(n2)NC3C(CCCC3)N)cc(C)c4 | | InChi: | InChI=1S/C19H24N6O/c1-11-5-4-6-12(9-11)22-17-16-15(10-21-18(16)26)24-19(25-17)23-14-8-3-2-7-13(14)20/h4-6,9,13-14H,2-3,7-8,10,20H2,1H3,(H,21,26)(H2,22,23,24,25)/t13-,14+/m0/s1 | | Definition date: | 2016-11-04 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one |
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 | | 7KG | | Name: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one | | Formula: | C17 H21 F N6 O | | SMILES: | c1(cn(C)nc1)c2c4c(c(c(n2)NC3CCCCC3N)F)CNC4=O | | InChi: | InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1 | | Definition date: | 2016-11-04 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one |
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 | | 54P | | Name: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol | | Formula: | C16 H18 Cl N O | | SMILES: | C(NCc1cc(Cl)c(cc1)c2ccccc2)CCO | | InChi: | InChI=1S/C16H18ClNO/c17-16-11-13(12-18-9-4-10-19)7-8-15(16)14-5-2-1-3-6-14/h1-3,5-8,11,18-19H,4,9-10,12H2 | | Definition date: | 2015-07-23 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol |
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 | | 54R | | Name: | N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide | | Formula: | C18 H21 Cl N2 O | | SMILES: | C(C)(NCCCNCc1ccc(c(c1)Cl)c2ccccc2)=O | | InChi: | InChI=1S/C18H21ClN2O/c1-14(22)21-11-5-10-20-13-15-8-9-17(18(19)12-15)16-6-3-2-4-7-16/h2-4,6-9,12,20H,5,10-11,13H2,1H3,(H,21,22) | | Definition date: | 2015-07-24 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide |
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 | | 551 | | Name: | methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate | | Formula: | C20 H23 Cl N2 O3 | | SMILES: | C(=O)(CC(=O)NCCCNCc1cc(c(cc1)c2ccccc2)Cl)OC | | InChi: | InChI=1S/C20H23ClN2O3/c1-26-20(25)13-19(24)23-11-5-10-22-14-15-8-9-17(18(21)12-15)16-6-3-2-4-7-16/h2-4,6-9,12,22H,5,10-11,13-14H2,1H3,(H,23,24) | | Definition date: | 2015-07-27 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate |
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 | | 6DB | | Name: | octopine | | Formula: | C9 H18 N4 O4 | | SMILES: | O=C(O)C(NC(C(O)=O)CCCNC(=N)N)C | | InChi: | InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1 | | Definition date: | 2016-03-17 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | N~2~-[(1R)-1-carboxyethyl]-L-arginine |
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 | | 6DK | | Name: | 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide | | Formula: | C15 H20 F3 N O3 | | SMILES: | OC(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F | | InChi: | InChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20) | | Definition date: | 2016-03-24 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide |
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 | | 6EV | | Name: | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one | | Formula: | C10 H8 O S2 | | SMILES: | C=C2/C=Cc1csc(SC)c1C2=O | | InChi: | InChI=1S/C10H8OS2/c1-6-3-4-7-5-13-10(12-2)8(7)9(6)11/h3-5H,1H2,2H3 | | Definition date: | 2016-03-23 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one |
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 | | 6HM | | Name: | [([1,1'-biphenyl]-2-yl)methyl]propanedioic acid | | Formula: | C16 H14 O4 | | SMILES: | c2ccc(c1ccccc1)c(CC(C(O)=O)C(O)=O)c2 | | InChi: | InChI=1S/C16H14O4/c17-15(18)14(16(19)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20) | | Definition date: | 2016-04-12 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | [([1,1'-biphenyl]-2-yl)methyl]propanedioic acid |
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 | | 6JT | | Name: | (3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide | | Formula: | C20 H23 N3 O4 | | SMILES: | N(C(CC(c1nc(no1)Cc2c3c(oc2)cccc3)CC4CCCC4)=O)O | | InChi: | InChI=1S/C20H23N3O4/c24-19(22-25)11-14(9-13-5-1-2-6-13)20-21-18(23-27-20)10-15-12-26-17-8-4-3-7-16(15)17/h3-4,7-8,12-14,25H,1-2,5-6,9-11H2,(H,22,24)/t14-/m1/s1 | | Definition date: | 2016-04-19 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | (3R)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide |
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 | | 6JU | | Name: | 2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide | | Formula: | C17 H15 Br N2 O2 | | SMILES: | c1(cn(c2c1cc(cc2)Br)CC(=O)NO)Cc3ccccc3 | | InChi: | InChI=1S/C17H15BrN2O2/c18-14-6-7-16-15(9-14)13(8-12-4-2-1-3-5-12)10-20(16)11-17(21)19-22/h1-7,9-10,22H,8,11H2,(H,19,21) | | Definition date: | 2016-04-20 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide |
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 | | 3LF | | Name: | 3-(3,4,5-trimethoxyphenyl)propanoic acid | | Formula: | C12 H16 O5 | | SMILES: | O=C(O)CCc1cc(OC)c(OC)c(OC)c1 | | InChi: | InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14) | | Definition date: | 2014-09-12 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 3-(3,4,5-trimethoxyphenyl)propanoic acid |
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 | | SF5 | | Name: | methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate | | Formula: | C18 H23 N3 O5 | | SMILES: | N(C(CC(c1onc(n1)Cc2ccc(cc2)C(=O)OC)CCCC)=O)O | | InChi: | InChI=1S/C18H23N3O5/c1-3-4-5-14(11-16(22)20-24)17-19-15(21-26-17)10-12-6-8-13(9-7-12)18(23)25-2/h6-9,14,24H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1 | | Definition date: | 2016-04-19 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate |
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 | | SF7 | | Name: | (3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide | | Formula: | C16 H20 F N3 O3 | | SMILES: | O=C(CC(c1nc(no1)Cc2ccc(cc2)F)CCCC)NO | | InChi: | InChI=1S/C16H20FN3O3/c1-2-3-4-12(10-15(21)19-22)16-18-14(20-23-16)9-11-5-7-13(17)8-6-11/h5-8,12,22H,2-4,9-10H2,1H3,(H,19,21)/t12-/m1/s1 | | Definition date: | 2016-04-20 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | (3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide |
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 | | 9CV | | Name: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide | | Formula: | C30 H31 F N6 O2 | | SMILES: | CNC(=O)c1cnc(NC2CCN(CC2)c3ccccn3)c(NCc4ccc(F)c(Oc5ccccc5)c4)c1 | | InChi: | InChI=1S/C30H31FN6O2/c1-32-30(38)22-18-26(34-19-21-10-11-25(31)27(17-21)39-24-7-3-2-4-8-24)29(35-20-22)36-23-12-15-37(16-13-23)28-9-5-6-14-33-28/h2-11,14,17-18,20,23,34H,12-13,15-16,19H2,1H3,(H,32,38)(H,35,36) | | Definition date: | 2016-03-24 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide |
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 | | 6WZ | | Name: | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione | | Formula: | C23 H22 F4 N4 O3 | | SMILES: | C[CH]1CN(CCN1CC(F)(F)F)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F | | InChi: | InChI=1S/C23H22F4N4O3/c1-14-11-29(8-9-30(14)13-23(25,26)27)21(33)17-10-15(6-7-18(17)24)12-31-19-5-3-2-4-16(19)20(32)28-22(31)34/h2-7,10,14H,8-9,11-13H2,1H3,(H,28,32,34)/t14-/m1/s1 | | Definition date: | 2016-07-12 | | Last modified: | 2016-11-25 | | Release date: | 2016-11-30 | | Identifier: | 1-[[4-fluoranyl-3-[(3~{R})-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione |
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 | | 42K | | Name: | 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide | | Formula: | C14 H11 N7 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4[nH]nnc4c23)cc1 | | InChi: | InChI=1S/C14H11N7O3S/c15-25(23,24)8-3-1-7(2-4-8)17-19-13-11-9(16-14(13)22)5-6-10-12(11)20-21-18-10/h1-6,17H,(H2,15,23,24)(H,16,19,22)(H,18,20,21) | | Definition date: | 2012-06-15 | | Last modified: | 2016-11-21 | | Identifier: | 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide |
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 | | 7DY | | Name: | N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide | | Formula: | C27 H25 Cl F3 N3 O2 | | SMILES: | c1cc(C(F)(F)F)cnc1OC(C)(C(NC(C)C(c2cc(C#N)ccc2)Cc3ccc(cc3)Cl)=O)C | | InChi: | InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | | Definition date: | 2016-10-12 | | Last modified: | 2016-11-18 | | Release date: | 2016-11-23 | | Identifier: | N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide |
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 | | 7H3 | | Name: | N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide | | Formula: | C18 H16 Br F N4 O2 S | | SMILES: | c4(Br)ccc(C(Nc3ccc(c(C12C(CSC(N)=N1)CCO2)c3)F)=O)nc4 | | InChi: | InChI=1S/C18H16BrFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1 | | Definition date: | 2016-10-24 | | Last modified: | 2016-11-18 | | Release date: | 2016-11-23 | | Identifier: | N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide |
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 | | 9RB | | Name: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide | | Formula: | C15 H17 N5 O2 | | SMILES: | Cn1nc(C)c(N=Nc2ccc(C=CC(=O)NO)cc2)c1C | | InChi: | InChI=1S/C15H17N5O2/c1-10-15(11(2)20(3)18-10)17-16-13-7-4-12(5-8-13)6-9-14(21)19-22/h4-9,22H,1-3H3,(H,19,21)/b9-6+,17-16+ | | Definition date: | 2016-03-23 | | Last modified: | 2016-11-18 | | Release date: | 2016-11-23 | | Identifier: | (~{E})-~{N}-oxidanyl-3-[4-[(~{E})-(1,3,5-trimethylpyrazol-4-yl)diazenyl]phenyl]prop-2-enamide |
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 | | 62E | | Name: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea | | Formula: | C26 H28 N8 O S3 | | SMILES: | c3c2c(nc(NC(NCCC1CCN(CC1)CC)=O)s2)ccc3Sc5nnc6ccc(c4cccs4)nn56 | | InChi: | InChI=1S/C26H28N8OS3/c1-2-33-13-10-17(11-14-33)9-12-27-24(35)29-25-28-19-6-5-18(16-22(19)38-25)37-26-31-30-23-8-7-20(32-34(23)26)21-4-3-15-36-21/h3-8,15-17H,2,9-14H2,1H3,(H2,27,28,29,35) | | Definition date: | 2016-01-15 | | Last modified: | 2016-11-18 | | Release date: | 2016-11-23 | | Identifier: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea |
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