 | | EWL | | Name: | 6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one | | Formula: | C16 H19 N5 O2 | | SMILES: | CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 | | InChi: | InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20) | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 6-azanyl-2-butoxy-9-(phenylmethyl)-7~{H}-purin-8-one |
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 | | EWR | | Name: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid | | Formula: | C25 H29 N O4 S | | SMILES: | CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O | | InChi: | InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1 | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid |
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 | | EWU | | Name: | 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7H-purin-8-one | | Formula: | C15 H17 N5 O3 | | SMILES: | COCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 | | InChi: | InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19) | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7~{H}-purin-8-one |
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 | | EWX | | Name: | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one | | Formula: | C14 H16 N6 O3 | | SMILES: | COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1 | | InChi: | InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19) | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one |
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 | | EX0 | | Name: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine | | Formula: | C26 H29 F N8 O | | SMILES: | CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | | InChi: | InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1 | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine |
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 | | EX3 | | Name: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine | | Formula: | C27 H30 F N7 O | | SMILES: | CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | | InChi: | InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1 | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine |
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 | | F5A | | Name: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid | | Formula: | C17 H15 Cl O4 | | SMILES: | C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O | | InChi: | InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | | Definition date: | 2019-01-23 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid |
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 | | F80 | | Name: | N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine | | Formula: | C19 H25 N5 O | | SMILES: | CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1 | | InChi: | InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24) | | Definition date: | 2020-04-08 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | ~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine |
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 | | FBX | | Name: | ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | Formula: | C16 H18 F N3 O2 | | SMILES: | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N | | InChi: | InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) | | Synonyms: | Retigabine, Ezogabine | | Definition date: | 2020-04-27 | | Last modified: | 2020-11-05 | | Release date: | 2020-09-16 | | Identifier: | ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate |
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 | | GB9 | | Name: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide | | Formula: | C12 H8 Cl F N2 O | | SMILES: | Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2 | | InChi: | InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) | | Synonyms: | ztz240 | | Definition date: | 2020-08-17 | | Last modified: | 2020-11-05 | | Release date: | 2020-09-16 | | Identifier: | ~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide |
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 | | 4D6 | | Name: | Vaborbactam | | Formula: | C12 H16 B N O5 S | | SMILES: | c2ccc(CC(NC1CCC(OB1O)CC(=O)O)=O)s2 | | InChi: | InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1 | | Synonyms: | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid | | Definition date: | 2015-03-03 | | Last modified: | 2020-11-04 | | Release date: | 2015-04-01 | | Identifier: | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid |
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 | | QOQ | | Name: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine | | Formula: | C18 H19 Cl F2 N6 | | SMILES: | Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1 | | InChi: | InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1 | | Definition date: | 2020-07-13 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine |
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 | | N28 | | Name: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide | | Formula: | C20 H26 N4 O4 | | SMILES: | NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1 | | InChi: | InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26) | | Definition date: | 2019-11-07 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide |
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 | | GYX | | Name: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide | | Formula: | C27 H31 N3 O2 | | SMILES: | C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34 | | InChi: | InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1 | | Definition date: | 2020-10-09 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | ~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide |
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 | | SWS | | Name: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide | | Formula: | C21 H28 N4 O2 | | SMILES: | CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(ncc3c2)N4CCC4 | | InChi: | InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)/t16-,17- | | Definition date: | 2020-03-13 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide |
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 | | WFY | | Name: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | | Formula: | C15 H18 Cl F N4 O | | SMILES: | Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F | | InChi: | InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1 | | Definition date: | 2020-10-27 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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 | | V4A | | Name: | Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine] | | Formula: | C22 H16 N8 Pt | | SMILES: | c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8 | | InChi: | InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11 | | Definition date: | 2020-06-24 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+) |
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 | | TJG | | Name: | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide | | Formula: | C21 H27 N3 O2 | | SMILES: | c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4 | | InChi: | InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17- | | Definition date: | 2020-03-23 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide |
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 | | R4P | | Name: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid | | Formula: | C21 H17 N3 O2 | | SMILES: | c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O | | InChi: | InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26) | | Definition date: | 2020-01-30 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid |
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 | | R6K | | Name: | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide | | Formula: | C34 H41 N7 O2 | | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3 | | InChi: | InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1 | | Definition date: | 2020-09-07 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide |
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 | | ROY | | Name: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | | Formula: | C17 H20 Cl2 N4 O | | SMILES: | C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4 | | InChi: | InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24) | | Definition date: | 2020-02-18 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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 | | RP7 | | Name: | (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol | | Formula: | C6 H11 N O | | SMILES: | CN1CC=CC(C1)O | | InChi: | InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1 | | Definition date: | 2020-02-18 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol |
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 | | VFG | | Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | | Formula: | C5 H8 N4 O3 S2 | | SMILES: | CCC(=O)Nc1nnc(S(N)(=O)=O)s1 | | InChi: | InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10) | | Definition date: | 2020-08-07 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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 | | VFJ | | Name: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide | | Formula: | C6 H10 N4 O3 S2 | | SMILES: | C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1 | | InChi: | InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11) | | Definition date: | 2020-08-07 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide |
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 | | VFM | | Name: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | | Formula: | C6 H10 N4 O3 S2 | | SMILES: | CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1 | | InChi: | InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11) | | Definition date: | 2020-08-10 | | Last modified: | 2020-10-30 | | Release date: | 2020-11-04 | | Identifier: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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