 | | 24Y | | Name: | 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one | | Formula: | C19 H14 Cl N5 O | | SMILES: | ClC4=CC(c2nc(nn2c1ncccc1C)c3ccccc3)=CNC4=O | | InChi: | InChI=1S/C19H14ClN5O/c1-12-6-5-9-21-17(12)25-18(14-10-15(20)19(26)22-11-14)23-16(24-25)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,26) | | Definition date: | 2013-08-29 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one |
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 | | 25K | | Name: | N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Formula: | C15 H17 N5 | | SMILES: | n2c(cc(N(Cc1ccc(cc1)C)C)n3ncnc23)C | | InChi: | InChI=1S/C15H17N5/c1-11-4-6-13(7-5-11)9-19(3)14-8-12(2)18-15-16-10-17-20(14)15/h4-8,10H,9H2,1-3H3 | | Definition date: | 2013-08-28 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | 25O | | Name: | 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | | Formula: | C12 H11 N5 | | SMILES: | n2c(cc(c1ccccc1)n3nc(nc23)N)C | | InChi: | InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16) | | Definition date: | 2013-08-28 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
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 | | 25V | | Name: | N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide | | Formula: | C18 H16 N2 O2 | | SMILES: | O=C(Nc3cccc(c2c1c(cccc1)[n+]([O-])c(c2)C)c3)C | | InChi: | InChI=1S/C18H16N2O2/c1-12-10-17(16-8-3-4-9-18(16)20(12)22)14-6-5-7-15(11-14)19-13(2)21/h3-11H,1-2H3,(H,19,21) | | Definition date: | 2013-08-29 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide |
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 | | 27Y | | Name: | 5-bromo-3-hydroxypyridin-2(1H)-one | | Formula: | C5 H4 Br N O2 | | SMILES: | BrC1=CNC(=O)C(O)=C1 | | InChi: | InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9) | | Definition date: | 2013-09-06 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | 5-bromo-3-hydroxypyridin-2(1H)-one |
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 | | 28A | | Name: | 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one | | Formula: | C12 H11 N O3 | | SMILES: | O=C2N=C(c1cccc(OC)c1)CC=C2O | | InChi: | InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(7-9)10-5-6-11(14)12(15)13-10/h2-4,6-7,14H,5H2,1H3 | | Definition date: | 2013-09-06 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one |
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 | | 28B | | Name: | 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile | | Formula: | C12 H8 N2 O2 | | SMILES: | O=C2C(O)=CC(c1cccc(C#N)c1)=CN2 | | InChi: | InChI=1S/C12H8N2O2/c13-6-8-2-1-3-9(4-8)10-5-11(15)12(16)14-7-10/h1-5,7,15H,(H,14,16) | | Definition date: | 2013-09-06 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile |
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 | | F8E | | Name: | methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate | | Formula: | C14 H11 Br N4 O2 | | SMILES: | O=C(OC)c1cc(ccc1Br)Nc2ncnc3c2ccn3 | | InChi: | InChI=1S/C14H11BrN4O2/c1-21-14(20)10-6-8(2-3-11(10)15)19-13-9-4-5-16-12(9)17-7-18-13/h2-7H,1H3,(H2,16,17,18,19) | | Definition date: | 2013-06-18 | | Last modified: | 2013-09-20 | | Release date: | 2013-09-25 | | Identifier: | methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate |
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 | | O74 | | Name: | 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one | | Formula: | C20 H14 Cl N3 O | | SMILES: | Clc1ccccc1NC4=NC(=C2C=CC=CC2=O)Nc3ccccc34 | | InChi: | InChI=1S/C20H14ClN3O/c21-15-9-3-5-11-17(15)23-19-13-7-1-4-10-16(13)22-20(24-19)14-8-2-6-12-18(14)25/h1-12,22H,(H,23,24)/b20-14- | | Definition date: | 2013-05-17 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | (6Z)-6-{4-[(2-chlorophenyl)amino]quinazolin-2(1H)-ylidene}cyclohexa-2,4-dien-1-one |
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 | | WI4 | | Name: | N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine | | Formula: | C13 H10 Cl N5 | | SMILES: | Clc1ccccc1Nc2ncnc(n2)n3cccc3 | | InChi: | InChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18) | | Definition date: | 2013-05-18 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine |
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 | | X16 | | Name: | N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide | | Formula: | C19 H21 N5 O4 S | | SMILES: | O=C(NS(=O)(=O)c3cccc(c2ccc1c(nc(nc1N)C)c2)c3)C(N)C(O)C | | InChi: | InChI=1S/C19H21N5O4S/c1-10(25)17(20)19(26)24-29(27,28)14-5-3-4-12(8-14)13-6-7-15-16(9-13)22-11(2)23-18(15)21/h3-10,17,25H,20H2,1-2H3,(H,24,26)(H2,21,22,23)/t10-,17+/m1/s1 | | Definition date: | 2012-11-19 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide |
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 | | URQ | | Name: | (2S)-3-(carbamoylamino)-2-methylpropanoic acid | | Formula: | C5 H10 N2 O3 | | SMILES: | O=C(NCC(C(=O)O)C)N | | InChi: | InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1 | | Definition date: | 2013-07-02 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | (2S)-3-(carbamoylamino)-2-methylpropanoic acid |
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 | | K80 | | Name: | (2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol | | Formula: | C12 H17 N O2 | | SMILES: | OC2C(c1ccc(cc1)C)NC(C)C2O | | InChi: | InChI=1S/C12H17NO2/c1-7-3-5-9(6-4-7)10-12(15)11(14)8(2)13-10/h3-6,8,10-15H,1-2H3/t8-,10-,11+,12-/m0/s1 | | Definition date: | 2013-03-08 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | (2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol |
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 | | ST7 | | Name: | N,N-dibenzyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-N~2~-{[5-({[(E)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1H-1,2,3-triazol-1-yl]acetyl}-L-ornithinamide | | Formula: | C37 H41 N11 O4 | | SMILES: | O=C(NC(C(=O)N(Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])NC(=O)NC)Cn3nncc3CON=Cc4c5ccccc5ncc4 | | InChi: | InChI=1S/C37H41N11O4/c1-39-37(51)45-36(38)41-19-10-17-33(35(50)47(23-27-11-4-2-5-12-27)24-28-13-6-3-7-14-28)44-34(49)25-48-30(22-42-46-48)26-52-43-21-29-18-20-40-32-16-9-8-15-31(29)32/h2-9,11-16,18,20-22,33H,10,17,19,23-26H2,1H3,(H,44,49)(H4,38,39,41,45,51)/b43-21+/t33-/m0/s1 | | Definition date: | 2013-06-25 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | N,N-dibenzyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-N~2~-{[5-({[(E)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1H-1,2,3-triazol-1-yl]acetyl}-L-ornithinamide |
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 | | X48 | | Name: | 3-hydroxy-6-phenylpyridin-2(5H)-one | | Formula: | C11 H9 N O2 | | SMILES: | O=C2N=C(c1ccccc1)CC=C2O | | InChi: | InChI=1S/C11H9NO2/c13-10-7-6-9(12-11(10)14)8-4-2-1-3-5-8/h1-5,7,13H,6H2 | | Definition date: | 2013-08-12 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 3-hydroxy-6-phenylpyridin-2(5H)-one |
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 | | Q13 | | Name: | 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) | | Formula: | C18 H27 N5 O2 | | SMILES: | n1c(N)cc(cc1COCC(N)C(OCc2nc(N)cc(c2)C)C)C | | InChi: | InChI=1S/C18H27N5O2/c1-11-4-14(22-17(20)6-11)8-24-10-16(19)13(3)25-9-15-5-12(2)7-18(21)23-15/h4-7,13,16H,8-10,19H2,1-3H3,(H2,20,22)(H2,21,23)/t13-,16-/m0/s1 | | Definition date: | 2013-04-25 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) |
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 | | Q14 | | Name: | 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine | | Formula: | C18 H27 N5 O2 | | SMILES: | n1c(N)cc(cc1COCCC(OCc2nc(N)cc(c2)C)CN)C | | InChi: | InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1 | | Definition date: | 2013-04-25 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine |
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 | | 06B | | Name: | 3-bromo-2,6-dimethoxybenzoic acid | | Formula: | C9 H9 Br O4 | | SMILES: | Brc1ccc(OC)c(c1OC)C(=O)O | | InChi: | InChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12) | | Definition date: | 2013-04-29 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 3-bromo-2,6-dimethoxybenzoic acid |
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 | | U98 | | Name: | 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide | | Formula: | C12 H10 F3 N3 O2 S | | SMILES: | FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N | | InChi: | InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(21(16,19)20)5-2-6-17-11/h1-7H,(H,17,18)(H2,16,19,20) | | Definition date: | 2013-05-20 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-sulfonamide |
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 | | QUB | | Name: | (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine | | Formula: | C13 H12 N2 O | | SMILES: | O(N=Cc1c2ccccc2ncc1)CC=C | | InChi: | InChI=1S/C13H12N2O/c1-2-9-16-15-10-11-7-8-14-13-6-4-3-5-12(11)13/h2-8,10H,1,9H2/b15-10+ | | Definition date: | 2013-06-25 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine |
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 | | 36E | | Name: | 2-(trifluoromethyl)-1H-benzimidazole | | Formula: | C8 H5 F3 N2 | | SMILES: | FC(F)(F)c2nc1ccccc1n2 | | InChi: | InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13) | | Definition date: | 2013-05-20 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 2-(trifluoromethyl)-1H-benzimidazole |
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 | | 36I | | Name: | 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine | | Formula: | C16 H15 N3 O S | | SMILES: | n1c(c3sccc3nc1c2ccccc2)N4CCOCC4 | | InChi: | InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)15-17-13-6-11-21-14(13)16(18-15)19-7-9-20-10-8-19/h1-6,11H,7-10H2 | | Definition date: | 2013-05-20 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 4-(morpholin-4-yl)-2-phenylthieno[3,2-d]pyrimidine |
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 | | 1B2 | | Name: | N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide | | Formula: | C17 H18 N4 O4 S | | SMILES: | O=C(NS(=O)(=O)c3cccc(c1cc2cnnc2cc1)c3)C(N)C(O)C | | InChi: | InChI=1S/C17H18N4O4S/c1-10(22)16(18)17(23)21-26(24,25)14-4-2-3-11(8-14)12-5-6-15-13(7-12)9-19-20-15/h2-10,16,22H,18H2,1H3,(H,19,20)(H,21,23)/t10-,16+/m1/s1 | | Definition date: | 2012-11-19 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide |
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 | | 1B3 | | Name: | N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide | | Formula: | C18 H18 Cl N5 O4 S | | SMILES: | O=C(NS(=O)(=O)c3cccc(c2ccc1c(nc(Cl)nc1N)c2)c3)C(N)C(O)C | | InChi: | InChI=1S/C18H18ClN5O4S/c1-9(25)15(20)17(26)24-29(27,28)12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,25H,20H2,1H3,(H,24,26)(H2,21,22,23)/t9-,15+/m1/s1 | | Definition date: | 2012-11-20 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide |
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 | | 1NO | | Name: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine | | Formula: | C18 H20 F N5 O2 S2 | | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)CSc3nc(N)cc(n3)N | | InChi: | InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24) | | Definition date: | 2013-04-05 | | Last modified: | 2013-09-13 | | Release date: | 2013-09-18 | | Identifier: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine |
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