 | | 8GJ | | Name: | (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Formula: | C18 H21 F N2 O6 S | | SMILES: | C2(c1ccc(cc1F)OC)=CC(N(C=C2)CCC(C)(S(C)(=O)=O)C(NO)=O)=O | | InChi: | InChI=1S/C18H21FN2O6S/c1-18(17(23)20-24,28(3,25)26)7-9-21-8-6-12(10-16(21)22)14-5-4-13(27-2)11-15(14)19/h4-6,8,10-11,24H,7,9H2,1-3H3,(H,20,23)/t18-/m1/s1 | | Definition date: | 2017-02-04 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
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 | | 8KW | | Name: | 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol | | Formula: | C15 H16 O3 | | SMILES: | COc1cc(O)cc(CCc2ccccc2O)c1 | | InChi: | InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3 | | Definition date: | 2017-02-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol |
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 | | 8MA | | Name: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid | | Formula: | C26 H26 F N3 O3 | | SMILES: | C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4ccc(cc4)F)=O | | InChi: | InChI=1S/C26H26FN3O3/c27-19-10-12-20(13-11-19)28-24-16-18(26(32)33)9-14-22(24)30-25(31)23-8-4-7-21(29-23)15-17-5-2-1-3-6-17/h4,7-14,16-17,28H,1-3,5-6,15H2,(H,30,31)(H,32,33) | | Definition date: | 2017-02-16 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid |
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 | | 8N4 | | Name: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid | | Formula: | C27 H26 F3 N3 O4 | | SMILES: | C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4cccc(c4)OC(F)(F)F)=O | | InChi: | InChI=1S/C27H26F3N3O4/c28-27(29,30)37-21-10-4-8-20(16-21)32-24-15-18(26(35)36)12-13-22(24)33-25(34)23-11-5-9-19(31-23)14-17-6-2-1-3-7-17/h4-5,8-13,15-17,32H,1-3,6-7,14H2,(H,33,34)(H,35,36) | | Definition date: | 2017-02-21 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid |
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 | | 8Q4 | | Name: | 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate | | Formula: | C20 H21 Cl N2 O4 | | SMILES: | CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OC(=O)O)c(cc2)Cl | | InChi: | InChI=1S/C20H21ClN2O4/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(24)22-15-8-9-16(21)17(11-15)27-19(25)26/h5-11H,1H2,2-4H3,(H,25,26)(H2,22,23,24) | | Definition date: | 2017-02-28 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate |
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 | | 8Q8 | | Name: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide | | Formula: | C27 H31 N5 O3 | | SMILES: | CC(C)(N)[CH](N[CH]1CCc2cc(ccc12)C#Cc3ccc(Cn4ccnc4CO)cc3)C(=O)NO | | InChi: | InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25-/m1/s1 | | Definition date: | 2017-02-23 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide |
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 | | 8R4 | | Name: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid | | Formula: | C25 H21 N O3 | | SMILES: | c1(c(C(O)=O)ccc(c1)c2coc3ncc(cc23)c4ccccc4)C5CCCC5 | | InChi: | InChI=1S/C25H21NO3/c27-25(28)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-29-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,27,28) | | Definition date: | 2017-03-03 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid |
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 | | 8SH | | Name: | (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol | | Formula: | C15 H25 O3 P S | | SMILES: | CCO[P](=O)(OCC)[CH](CS)CCCc1ccccc1 | | InChi: | InChI=1S/C15H25O3PS/c1-3-17-19(16,18-4-2)15(13-20)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,20H,3-4,8,11-13H2,1-2H3/t15-/m1/s1 | | Definition date: | 2016-12-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol |
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 | | 7IA | | Name: | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid | | Formula: | C12 H10 N2 O3 S | | SMILES: | C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(=O)O | | InChi: | InChI=1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15) | | Definition date: | 2016-03-16 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid |
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 | | 3Y7 | | Name: | 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine | | Formula: | C10 H12 N4 O2 | | SMILES: | n1onc2c(ccc(c12)N)N3CCOCC3 | | InChi: | InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2 | | Definition date: | 2014-12-10 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine |
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 | | H0X | | Name: | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile | | Formula: | C12 H9 N3 O S | | SMILES: | C(C#N)SC=2NC(C=C(c1ccccc1)N=2)=O | | InChi: | InChI=1S/C12H9N3OS/c13-6-7-17-12-14-10(8-11(16)15-12)9-4-2-1-3-5-9/h1-5,8H,7H2,(H,14,15,16) | | Definition date: | 2016-03-16 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile |
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 | | 75O | | Name: | 6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid | | Formula: | C17 H16 Cl N3 O3 | | SMILES: | n2cc(c3cc(c1c(nc(cc1)N(C)C)OC)c(cc23)Cl)C(O)=O | | InChi: | InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23) | | Definition date: | 2016-09-01 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid |
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 | | 76U | | Name: | (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid | | Formula: | C13 H20 F N2 O7 P | | SMILES: | c1(c(c(c(C)nc1)O)CNC(CF)CCC(O)=O)COP(O)(O)=O | | InChi: | InChI=1S/C13H20FN2O7P/c1-8-13(19)11(6-16-10(4-14)2-3-12(17)18)9(5-15-8)7-23-24(20,21)22/h5,10,16,19H,2-4,6-7H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m0/s1 | | Definition date: | 2016-09-08 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid |
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 | | 77J | | Name: | N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide | | Formula: | C13 H13 N3 O3 S | | SMILES: | C=1(NC(=O)C=C(N=1)c2ccccc2)SCCC(NO)=O | | InChi: | InChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18) | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide |
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 | | 77W | | Name: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | | Formula: | C25 H22 F N O3 | | SMILES: | c4c(cc3CCN(c1ccc(cc1)F)C(C)(c2ccc(cc2)[C@H]=[C@H]C(O)=O)c3c4)O | | InChi: | InChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+/t25-/m1/s1 | | Definition date: | 2016-09-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid |
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 | | 782 | | Name: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | | Formula: | C28 H29 N O3 | | SMILES: | c3c(cc2CCN(C(c1ccc(cc1)[C@H]=[C@H]C(=O)O)(C)c2c3)c4ccc(cc4)C(C)C)O | | InChi: | InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+/t28-/m1/s1 | | Definition date: | 2016-09-12 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid |
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 | | 8V4 | | Name: | N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide | | Formula: | C10 H11 N3 O2 | | SMILES: | n1(CC)cc(cn1)NC(=O)c2ccoc2 | | InChi: | InChI=1S/C10H11N3O2/c1-2-13-6-9(5-11-13)12-10(14)8-3-4-15-7-8/h3-7H,2H2,1H3,(H,12,14) | | Definition date: | 2017-03-06 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide |
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 | | 8V7 | | Name: | 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide | | Formula: | C14 H14 N6 O S | | SMILES: | c3n(c(c2nc(C(=O)Nc1ncccc1)cs2)nn3)C(C)C | | InChi: | InChI=1S/C14H14N6OS/c1-9(2)20-8-16-19-12(20)14-17-10(7-22-14)13(21)18-11-5-3-4-6-15-11/h3-9H,1-2H3,(H,15,18,21) | | Definition date: | 2017-03-06 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide |
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 | | 6C4 | | Name: | N-(cyclopentylmethyl)cyclopentanecarboxamide | | Formula: | C12 H21 N O | | SMILES: | C2(C(=O)NCC1CCCC1)CCCC2 | | InChi: | InChI=1S/C12H21NO/c14-12(11-7-3-4-8-11)13-9-10-5-1-2-6-10/h10-11H,1-9H2,(H,13,14) | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-(cyclopentylmethyl)cyclopentanecarboxamide |
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 | | 6C5 | | Name: | N-(cyclopentylmethyl)pyrrolidine-1-carboxamide | | Formula: | C11 H20 N2 O | | SMILES: | C1CCCN1C(NCC2CCCC2)=O | | InChi: | InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)12-9-10-5-1-2-6-10/h10H,1-9H2,(H,12,14) | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-(cyclopentylmethyl)pyrrolidine-1-carboxamide |
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 | | 6C8 | | Name: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one | | Formula: | C11 H13 N O2 | | SMILES: | O=C(C=Cc1cocc1)N2CCCC2 | | InChi: | InChI=1S/C11H13NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h3-5,8-9H,1-2,6-7H2/b4-3+ | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one |
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 | | 6C9 | | Name: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide | | Formula: | C10 H18 N2 O2 | | SMILES: | O=C(N1CCCC1)NCC2CCOC2 | | InChi: | InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1 | | Definition date: | 2016-03-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide |
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 | | 6CC | | Name: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide | | Formula: | C9 H8 Cl N3 O2 S2 | | SMILES: | c2c(c1cc(c(Cl)cc1)S(=O)(=O)N)nc(N)s2 | | InChi: | InChI=1S/C9H8ClN3O2S2/c10-6-2-1-5(3-8(6)17(12,14)15)7-4-16-9(11)13-7/h1-4H,(H2,11,13)(H2,12,14,15) | | Definition date: | 2016-03-10 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide |
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 | | 6CX | | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine | | Formula: | C18 H25 N9 O5 | | SMILES: | c2nc1n(cnc1c(n2)N)C4C(C(C(CN(Cc3cncn3)CCC(C(O)=O)N)O4)O)O | | InChi: | InChI=1S/C18H25N9O5/c19-10(18(30)31)1-2-26(4-9-3-21-6-22-9)5-11-13(28)14(29)17(32-11)27-8-25-12-15(20)23-7-24-16(12)27/h3,6-8,10-11,13-14,17,28-29H,1-2,4-5,19H2,(H,21,22)(H,30,31)(H2,20,23,24)/t10-,11+,13+,14+,17+/m0/s1 | | Definition date: | 2016-03-15 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine |
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 | | 6E1 | | Name: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside | | Formula: | C28 H28 F8 N2 O12 S | | SMILES: | c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c(F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C3O)CO)O)=O)c4F)F)F | | InChi: | InChI=1S/C28H28F8N2O12S/c1-47-23-13(33)9(29)7(10(30)14(23)34)25(45)37-17-19(41)5(3-39)49-27(21(17)43)51-28-22(44)18(20(42)6(4-40)50-28)38-26(46)8-11(31)15(35)24(48-2)16(36)12(8)32/h5-6,17-22,27-28,39-44H,3-4H2,1-2H3,(H,37,45)(H,38,46)/t5-,6-,17+,18+,19+,20+,21-,22-,27+,28+/m1/s1 | | Definition date: | 2016-03-18 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside |
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