 | | 4T6 | | Name: | N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine | | Formula: | C18 H17 Cl N8 | | SMILES: | c21ncnc1ccc(c2Cl)CNc3nccc(n3)Nc5cc(C4CC4)nn5 | | InChi: | InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27) | | Definition date: | 2015-05-21 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine |
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 | | 4VR | | Name: | 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C15 H16 Br N5 O | | SMILES: | CCCC3=CC(=O)n2nc(NCc1ccc(cc1)Br)nc2N3 | | InChi: | InChI=1S/C15H16BrN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H2,17,18,19,20) | | Definition date: | 2015-06-08 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | 4VS | | Name: | 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C10 H10 N4 O | | SMILES: | N#Cc1c2n(nc1C)C(=O)C=C(N2)CC | | InChi: | InChI=1S/C10H10N4O/c1-3-7-4-9(15)14-10(12-7)8(5-11)6(2)13-14/h4,12H,3H2,1-2H3 | | Definition date: | 2015-06-08 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | 4VT | | Name: | 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C14 H10 N4 O | | SMILES: | O=C2C=C(Cc1ccccc1)Nc3n2ncc3C#N | | InChi: | InChI=1S/C14H10N4O/c15-8-11-9-16-18-13(19)7-12(17-14(11)18)6-10-4-2-1-3-5-10/h1-5,7,9,17H,6H2 | | Definition date: | 2015-06-08 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | 4W4 | | Name: | 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C18 H17 Cl F N5 O | | SMILES: | CCCCC3=CC(=O)n2nc(NCc1ccc(cc1F)Cl)c(c2N3)C#N | | InChi: | InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24) | | Definition date: | 2015-06-09 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | 4W6 | | Name: | 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C16 H19 N5 O2 | | SMILES: | CCCC3=CC(=O)n2nc(CC(=O)N1CCCC1)c(c2N3)C#N | | InChi: | InChI=1S/C16H19N5O2/c1-2-5-11-8-15(23)21-16(18-11)12(10-17)13(19-21)9-14(22)20-6-3-4-7-20/h8,18H,2-7,9H2,1H3 | | Definition date: | 2015-06-09 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | 4L6 | | Name: | 4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide | | Formula: | C17 H14 N6 O | | SMILES: | Cc2cc1cnnc1cc2c3cccc4c3nnc(c4N)C(N)=O | | InChi: | InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21) | | Definition date: | 2015-04-07 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide |
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 | | 4LD | | Name: | 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole | | Formula: | C24 H23 N5 O2 | | SMILES: | COc4cc2c1c(nccc1nc2cc4c3c(C)onc3C)c5c(nnc5C6CC6)C | | InChi: | InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28) | | Definition date: | 2015-04-10 | | Last modified: | 2015-06-26 | | Release date: | 2015-07-01 | | Identifier: | 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole |
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 | | UGT | | Name: | N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide | | Formula: | C16 H19 N3 O S | | SMILES: | NC(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3 | | InChi: | InChI=1S/C16H19N3OS/c17-16(15-5-2-8-21-15)19-13-4-1-3-12(9-13)11-20-14-6-7-18-10-14/h1-5,8-9,14,18H,6-7,10-11H2,(H2,17,19)/t14-/m1/s1 | | Definition date: | 2015-03-22 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | N'-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide |
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 | | UL4 | | Name: | 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid | | Formula: | C18 H17 N O5 | | SMILES: | O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC)C(=O)C | | InChi: | InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23) | | Definition date: | 2014-06-12 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid |
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 | | 41D | | Name: | 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate | | Formula: | C10 H15 N O4 S | | SMILES: | [O-]S(=O)(=O)CCC[n+]1ccccc1CCO | | InChi: | InChI=1S/C10H15NO4S/c12-8-5-10-4-1-2-6-11(10)7-3-9-16(13,14)15/h1-2,4,6,12H,3,5,7-9H2 | | Definition date: | 2015-01-09 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate |
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 | | TI4 | | Name: | (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane | | Formula: | C14 H18 N2 | | SMILES: | c1cc(cnc1)C2N3CC4CC2CC(C3)C4 | | InChi: | InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13-,14-/m0/s1 | | Definition date: | 2015-06-01 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane |
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 | | 39L | | Name: | [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | | Formula: | C9 H11 F N2 O6 P2 | | SMILES: | O=P(O)(O)C(F)(P(=O)(O)O)Cc1cnc2ccccn12 | | InChi: | InChI=1S/C9H11FN2O6P2/c10-9(19(13,14)15,20(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6H,5H2,(H2,13,14,15)(H2,16,17,18) | | Definition date: | 2014-07-10 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) |
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 | | 3GK | | Name: | N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide | | Formula: | C16 H10 F3 N7 O | | SMILES: | FC(F)(F)c1cc(c2ncnc2c1)C(=O)Nc3cccc(c3)c4nnnn4 | | InChi: | InChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26) | | Definition date: | 2014-08-15 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide |
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 | | 4OQ | | Name: | 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine | | Formula: | C20 H22 Cl F N4 | | SMILES: | C(C)N3c1ccc(cc1N=C(c2c3ccc(Cl)c2)N4CCN(C)CC4)F | | InChi: | InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3 | | Definition date: | 2015-04-29 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
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 | | 4OR | | Name: | (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide | | Formula: | C24 H29 Cl F N5 O | | SMILES: | C(C)N3c1ccc(cc1N=C(c2c3ccc(c2)Cl)NC4CN(CC4)C(=O)NC(C)(C)C)F | | InChi: | InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1 | | Definition date: | 2015-04-29 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | (3S)-N-tert-butyl-3-[(2-chloro-5-ethyl-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino]pyrrolidine-1-carboxamide |
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 | | 4VU | | Name: | (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane | | Formula: | C12 H16 N2 | | SMILES: | c1cncc(c1)C2N3CCC(C2)CC3 | | InChi: | InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2/t12-/m1/s1 | | Definition date: | 2015-06-08 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane |
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 | | ES8 | | Name: | [(9H-fluoren-9-ylideneamino)oxy]acetic acid | | Formula: | C15 H11 N O3 | | SMILES: | O=C(O)CON=C3/c1ccccc1c2c3cccc2 | | InChi: | InChI=1S/C15H11NO3/c17-14(18)9-19-16-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,17,18) | | Definition date: | 2014-06-12 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | [(9H-fluoren-9-ylideneamino)oxy]acetic acid |
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 | | 8TH | | Name: | chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium | | Formula: | C30 H35 Cl Ir N3 O4 S2 | | SMILES: | O=S(=O)(c1ccccc1)N2Cc8n([Ir]23456(Cl)C7(C)C3(C)C4(C)C5(CCC)C67C)ccc(c8)c9ccc(S(N)(=O)=O)cc9 | | InChi: | InChI=1S/C18H16N3O4S2.C12H19.ClH.Ir/c19-26(22,23)17-8-6-14(7-9-17)15-10-11-20-16(12-15)13-21-27(24,25)18-4-2-1-3-5-18 | | Definition date: | 2015-06-11 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium |
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 | | 48R | | Name: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide | | Formula: | C18 H18 N2 O4 S | | SMILES: | O=S(=O)(NC(=O)C(C)CON=C3/c1ccccc1c2c3cccc2)C | | InChi: | InChI=1S/C18H18N2O4S/c1-12(18(21)20-25(2,22)23)11-24-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1 | | Definition date: | 2014-06-12 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide |
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 | | 4A7 | | Name: | 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide | | Formula: | C18 H20 N2 O5 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1OC)Nc2ccc3c(c2)CCC(=O)N3C | | InChi: | InChI=1S/C18H20N2O5S/c1-20-15-7-5-13(10-12(15)4-9-18(20)21)19-26(22,23)17-8-6-14(24-2)11-16(17)25-3/h5-8,10-11,19H,4,9H2,1-3H3 | | Definition date: | 2015-02-19 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide |
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 | | 4A8 | | Name: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide | | Formula: | C16 H17 N3 O4 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)Nc2ccc3c(c2)N(C(=O)N3C)C | | InChi: | InChI=1S/C16H17N3O4S/c1-18-14-9-4-11(10-15(14)19(2)16(18)20)17-24(21,22)13-7-5-12(23-3)6-8-13/h4-10,17H,1-3H3 | | Definition date: | 2015-02-19 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide |
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 | | 4AE | | Name: | N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide | | Formula: | C22 H21 N3 O5 S | | SMILES: | O=S(=O)(c1ccccc1)Nc3cc4c(cc3Oc2ccc(OC)cc2)N(C(=O)N4C)C | | InChi: | InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-7-5-4-6-8-17)21(14-20(19)25(2)22(24)26)30-16-11-9-15(29-3)10-12-16/h4-14,23H,1-3H3 | | Definition date: | 2015-02-19 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide |
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 | | 4BJ | | Name: | N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide | | Formula: | C30 H29 N3 O7 S | | SMILES: | O=S(=O)(c1cc(OC)c(OC)cc1)Nc4cc5c(cc4Oc3cccc(OCc2ccccc2)c3)N(C(=O)N5C)C | | InChi: | InChI=1S/C30H29N3O7S/c1-32-25-17-24(31-41(35,36)23-13-14-27(37-3)29(16-23)38-4)28(18-26(25)33(2)30(32)34)40-22-12-8-11-21(15-22)39-19-20-9-6-5-7-10-20/h5-18,31H,19H2,1-4H3 | | Definition date: | 2015-02-25 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide |
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 | | 4BK | | Name: | N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide | | Formula: | C24 H29 N5 O5 S | | SMILES: | O=S(=O)(c1nc(n(c1)C)C)Nc3cc4c(cc3Oc2cccc(OCC(C)C)c2)N(C(=O)N4C)C | | InChi: | InChI=1S/C24H29N5O5S/c1-15(2)14-33-17-8-7-9-18(10-17)34-22-12-21-20(28(5)24(30)29(21)6)11-19(22)26-35(31,32)23-13-27(4)16(3)25-23/h7-13,15,26H,14H2,1-6H3 | | Definition date: | 2015-02-25 | | Last modified: | 2015-06-19 | | Release date: | 2015-06-24 | | Identifier: | N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide |
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