 | | 1EN | | Name: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine | | Formula: | C21 H15 Cl F N3 O | | SMILES: | Clc1ccc(cc1)C5(c4nnc3c(Oc2ccccc2F)cccn34)CC5 | | InChi: | InChI=1S/C21H15ClFN3O/c22-15-9-7-14(8-10-15)21(11-12-21)20-25-24-19-18(6-3-13-26(19)20)27-17-5-2-1-4-16(17)23/h1-10,13H,11-12H2 | | Definition date: | 2013-01-07 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine |
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 | | 1EO | | Name: | (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol | | Formula: | C19 H18 F N3 O2 | | SMILES: | Fc5ccccc5Oc4cccn1c4nnc1C23CCC(O)(CC2)C3 | | InChi: | InChI=1S/C19H18FN3O2/c20-13-4-1-2-5-14(13)25-15-6-3-11-23-16(15)21-22-17(23)18-7-9-19(24,12-18)10-8-18/h1-6,11,24H,7-10,12H2/t18-,19+ | | Definition date: | 2013-01-07 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol |
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 | | 1EQ | | Name: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine | | Formula: | C18 H16 Cl N3 | | SMILES: | Clc1ccc(cc1)C5(c3nnc2c(cccn23)C4CC4)CC5 | | InChi: | InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | | Definition date: | 2013-01-07 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine |
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 | | 1XC | | Name: | 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium | | Formula: | C26 H25 F2 N3 O10 P S | | SMILES: | Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4cn3cc[n+](c3cc4)C5OC(C(O)C5O)COP(=O)(O)O | | InChi: | InChI=1S/C26H24F2N3O10PS/c27-17-9-18(28)11-20(10-17)43(38,39)19-4-1-15(2-5-19)12-29-25(34)16-3-6-22-30(13-16)7-8-31(22)26-24(33)23(32)21(41-26)14-40-42(35,36)37/h1-11,13,21,23-24,26,32-33H,12,14H2,(H2-,29,34,35,36,37)/p+1/t21-,23-,24-,26-/m1/s1 | | Definition date: | 2013-07-24 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium |
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 | | 1XD | | Name: | N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide | | Formula: | C21 H15 F2 N3 O3 S | | SMILES: | Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4nccn4cc3 | | InChi: | InChI=1S/C21H15F2N3O3S/c22-16-10-17(23)12-19(11-16)30(28,29)18-3-1-14(2-4-18)13-25-21(27)15-5-7-26-8-6-24-20(26)9-15/h1-12H,13H2,(H,25,27) | | Definition date: | 2013-07-24 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide |
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 | | 2E5 | | Name: | pyridin-4-ylmethyl trihydrogen diphosphate | | Formula: | C6 H9 N O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCc1ccncc1)O | | InChi: | InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-1-3-7-4-2-6/h1-4H,5H2,(H,11,12)(H2,8,9,10) | | Definition date: | 2013-09-26 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | pyridin-4-ylmethyl trihydrogen diphosphate |
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 | | 2E6 | | Name: | pyridin-2-ylmethyl trihydrogen diphosphate | | Formula: | C6 H9 N O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCc1ncccc1)O | | InChi: | InChI=1S/C6H9NO7P2/c8-15(9,10)14-16(11,12)13-5-6-3-1-2-4-7-6/h1-4H,5H2,(H,11,12)(H2,8,9,10) | | Definition date: | 2013-09-26 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | pyridin-2-ylmethyl trihydrogen diphosphate |
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 | | 2EO | | Name: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide | | Formula: | C23 H21 N3 O3 | | SMILES: | O=C2c1ccccc1C(=NN2C)CC(=O)Nc5ccc3c(oc4c3CCCC4)c5 | | InChi: | InChI=1S/C23H21N3O3/c1-26-23(28)18-8-3-2-6-15(18)19(25-26)13-22(27)24-14-10-11-17-16-7-4-5-9-20(16)29-21(17)12-14/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27) | | Definition date: | 2013-09-30 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide |
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 | | 2OZ | | Name: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide | | Formula: | C13 H17 F N2 O4 S | | SMILES: | S=C(Nc1ccc(F)cc1)N2C(C(O)C(O)C(O)C2)CO | | InChi: | InChI=1S/C13H17FN2O4S/c14-7-1-3-8(4-2-7)15-13(21)16-5-10(18)12(20)11(19)9(16)6-17/h1-4,9-12,17-20H,5-6H2,(H,15,21)/t9-,10+,11+,12-/m1/s1 | | Definition date: | 2013-12-20 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide |
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 | | 2SQ | | Name: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid | | Formula: | C26 H28 F N O5 | | SMILES: | O=C(O)C(OC(C)(C)C)C=4N(C(=O)c1ccccc1C=4c3cc(F)c2OCCCc2c3C)C | | InChi: | InChI=1S/C26H28FNO5/c1-14-15-11-8-12-32-22(15)19(27)13-18(14)20-16-9-6-7-10-17(16)24(29)28(5)21(20)23(25(30)31)33-26(2,3)4/h6-7,9-10,13,23H,8,11-12H2,1-5H3,(H,30,31)/t23-/m0/s1 | | Definition date: | 2014-01-24 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid |
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 | | 2X1 | | Name: | 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide | | Formula: | C15 H17 N5 O | | SMILES: | O=C(Nc1cc(ccc1)CN)Nc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C15H17N5O/c16-9-10-2-1-3-13(8-10)20-15(21)19-12-6-4-11(5-7-12)14(17)18/h1-8H,9,16H2,(H3,17,18)(H2,19,20,21) | | Definition date: | 2014-03-28 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide |
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 | | 31Z | | Name: | 2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid | | Formula: | C24 H23 Cl F N3 O5 | | SMILES: | O=C(O)c2ccc(c(F)c2Oc1cccc(Cl)c1)CN4CCCC(N3C=C(C(=O)NC3=O)C)C4 | | InChi: | InChI=1S/C24H23ClFN3O5/c1-14-11-29(24(33)27-22(14)30)17-5-3-9-28(13-17)12-15-7-8-19(23(31)32)21(20(15)26)34-18-6-2-4-16(25)10-18/h2,4,6-8,10-11,17H,3,5,9,12-13H2,1H3,(H,31,32)(H,27,30,33)/t17-/m0/s1 | | Definition date: | 2014-05-23 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid |
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 | | 32B | | Name: | 2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid | | Formula: | C27 H30 Cl N3 O6 | | SMILES: | O=C(O)c2ccc(c(OC)c2Oc1cccc(Cl)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC | | InChi: | InChI=1S/C27H30ClN3O6/c1-4-22(30-12-6-8-18(15-30)31-14-16(2)25(32)29-27(31)35)20-10-11-21(26(33)34)24(23(20)36-3)37-19-9-5-7-17(28)13-19/h5,7,9-11,13-14,18,22H,4,6,8,12,15H2,1-3H3,(H,33,34)(H,29,32,35)/t18-,22+/m0/s1 | | Definition date: | 2014-05-23 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid |
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 | | 32C | | Name: | 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid | | Formula: | C28 H31 Cl F N3 O5 | | SMILES: | O=C(O)c2ccc(c(F)c2Oc1cccc(Cl)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC(C)C | | InChi: | InChI=1S/C28H31ClFN3O5/c1-16(2)12-23(32-11-5-7-19(15-32)33-14-17(3)26(34)31-28(33)37)21-9-10-22(27(35)36)25(24(21)30)38-20-8-4-6-18(29)13-20/h4,6,8-10,13-14,16,19,23H,5,7,11-12,15H2,1-3H3,(H,35,36)(H,31,34,37)/t19-,23+/m0/s1 | | Definition date: | 2014-05-23 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid |
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 | | 32E | | Name: | 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid | | Formula: | C28 H31 Cl F N3 O5 | | SMILES: | O=C(O)c2ccc(c(F)c2Oc1cccc(Cl)c1)C(N4CCCC(N3C=C(C(=O)NC3=O)C)C4)CC(C)C | | InChi: | InChI=1S/C28H31ClFN3O5/c1-16(2)12-23(32-11-5-7-19(15-32)33-14-17(3)26(34)31-28(33)37)21-9-10-22(27(35)36)25(24(21)30)38-20-8-4-6-18(29)13-20/h4,6,8-10,13-14,16,19,23H,5,7,11-12,15H2,1-3H3,(H,35,36)(H,31,34,37)/t19-,23-/m0/s1 | | Definition date: | 2014-05-23 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid |
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 | | 32K | | Name: | 2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid | | Formula: | C25 H26 Cl N3 O6 | | SMILES: | O=C(O)c2ccc(c(OC)c2Oc1cccc(Cl)c1)CN4CCCC(N3C=C(C(=O)NC3=O)C)C4 | | InChi: | InChI=1S/C25H26ClN3O6/c1-15-12-29(25(33)27-23(15)30)18-6-4-10-28(14-18)13-16-8-9-20(24(31)32)22(21(16)34-2)35-19-7-3-5-17(26)11-19/h3,5,7-9,11-12,18H,4,6,10,13-14H2,1-2H3,(H,31,32)(H,27,30,33)/t18-/m0/s1 | | Definition date: | 2014-05-23 | | Last modified: | 2014-06-06 | | Release date: | 2014-06-11 | | Identifier: | 2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid |
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 | | XDA | | Name: | 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate | | Formula: | C20 H28 N3 O8 P | | SMILES: | O=P(O)(O)OCCNC(=O)c1ccc(cc1)COC(=O)NC2C=CCCC2C(=O)N(C)C | | InChi: | InChI=1S/C20H28N3O8P/c1-23(2)19(25)16-5-3-4-6-17(16)22-20(26)30-13-14-7-9-15(10-8-14)18(24)21-11-12-31-32(27,28)29/h4,6-10,16-17H,3,5,11-13H2,1-2H3,(H,21,24)(H,22,26)(H2,27,28,29)/t16-,17+/m0/s1 | | Definition date: | 2014-01-07 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate |
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 | | X4C | | Name: | 8-methyl-6-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine | | Formula: | C23 H21 N5 | | SMILES: | n2c1cc(ccc1n(c2CCc4nc(c3ncccn34)C)c5ccccc5)C | | InChi: | InChI=1S/C23H21N5/c1-16-9-10-20-19(15-16)26-22(28(20)18-7-4-3-5-8-18)12-11-21-25-17(2)23-24-13-6-14-27(21)23/h3-10,13-15H,11-12H2,1-2H3 | | Definition date: | 2014-03-13 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | 8-methyl-6-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine |
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 | | X4D | | Name: | 7-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine | | Formula: | C22 H19 N5 | | SMILES: | n1c(n2ncccc2c1)CCc5nc3cc(ccc3n5c4ccccc4)C | | InChi: | InChI=1S/C22H19N5/c1-16-9-10-20-19(14-16)25-22(26(20)17-6-3-2-4-7-17)12-11-21-23-15-18-8-5-13-24-27(18)21/h2-10,13-15H,11-12H2,1H3 | | Definition date: | 2014-03-13 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | 7-[2-(5-methyl-1-phenyl-1H-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine |
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 | | YPT | | Name: | cis-diamino(diiodo)platinum | | Formula: | H4 I2 N2 Pt | | SMILES: | [I-][Pt+2]([I-])(N)N | | InChi: | InChI=1S/2HI.2H2N.Pt/h2*1H | | Definition date: | 2013-09-18 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | diamino(diiodo)platinum |
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 | | 2QC | | Name: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine | | Formula: | C9 H9 N3 S | | SMILES: | n1nscc1c2ccc(cc2)CN | | InChi: | InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2 | | Definition date: | 2014-01-08 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine |
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 | | 2V6 | | Name: | N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Formula: | C14 H7 F8 N5 | | SMILES: | FC(F)(F)c1c(F)cc(cc1F)Nc2cc(nc3nc(nn23)C(F)(F)F)C | | InChi: | InChI=1S/C14H7F8N5/c1-5-2-9(27-12(23-5)25-11(26-27)14(20,21)22)24-6-3-7(15)10(8(16)4-6)13(17,18)19/h2-4,24H,1H3 | | Definition date: | 2014-02-20 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
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 | | 2VT | | Name: | N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide | | Formula: | C19 H14 N6 O | | SMILES: | N#Cc1cccc(c1)Cn2ncc(c2)NC(=O)c3c4ccccc4nn3 | | InChi: | InChI=1S/C19H14N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h1-8,10,12H,11H2,(H,22,26)(H,23,24) | | Definition date: | 2014-02-27 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide |
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 | | 2VU | | Name: | N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide | | Formula: | C22 H16 N8 O | | SMILES: | N#Cc1cccc(c1)Cn2ncc(c2)NC(=O)c5nnc4cc(c3cnnc3)ccc45 | | InChi: | InChI=1S/C22H16N8O/c23-8-14-2-1-3-15(6-14)12-30-13-18(11-26-30)27-22(31)21-19-5-4-16(7-20(19)28-29-21)17-9-24-25-10-17/h1-7,9-11,13H,12H2,(H,24,25)(H,27,31)(H,28,29) | | Definition date: | 2014-02-27 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide |
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 | | 2VV | | Name: | N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide | | Formula: | C25 H26 N8 O | | SMILES: | O=C(Nc1cn(nc1)C(c2ccccc2)CCN(C)C)c5nnc4cc(c3cnnc3)ccc45 | | InChi: | InChI=1S/C25H26N8O/c1-32(2)11-10-23(17-6-4-3-5-7-17)33-16-20(15-28-33)29-25(34)24-21-9-8-18(12-22(21)30-31-24)19-13-26-27-14-19/h3-9,12-16,23H,10-11H2,1-2H3,(H,26,27)(H,29,34)(H,30,31)/t23-/m0/s1 | | Definition date: | 2014-02-27 | | Last modified: | 2014-05-30 | | Release date: | 2014-06-04 | | Identifier: | N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide |
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