 | | QUW | | Name: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide | | Formula: | C21 H22 F2 N4 O4 | | SMILES: | NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CCCCCO)cc13 | | InChi: | InChI=1S/C21H22F2N4O4/c22-14-6-5-13(16(23)9-14)11-26-20(29)17-18(24)15-8-12(4-2-1-3-7-28)10-25-19(15)27(31)21(17)30/h5-6,8-10,28,31H,1-4,7,11,24H2,(H,26,29) | | Definition date: | 2015-12-22 | | Last modified: | 2016-02-12 | | Release date: | 2016-02-17 | | Identifier: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide |
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 | | 1TC | | Name: | N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide | | Formula: | C25 H26 Cl N3 O5 | | SMILES: | COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4oc(C)nc4)cc3Cl | | InChi: | InChI=1S/C25H26ClN3O5/c1-16-27-14-22(34-16)24(31)29-18-5-8-20(21(26)13-18)23(30)28-15-25(9-11-33-12-10-25)17-3-6-19(32-2)7-4-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,30)(H,29,31) | | Definition date: | 2015-08-24 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide |
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 | | QNS | | Name: | N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide | | Formula: | C25 H25 Cl N2 O5 | | SMILES: | COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4occc4)cc3Cl | | InChi: | InChI=1S/C25H25ClN2O5/c1-31-19-7-4-17(5-8-19)25(10-13-32-14-11-25)16-27-23(29)20-9-6-18(15-21(20)26)28-24(30)22-3-2-12-33-22/h2-9,12,15H,10-11,13-14,16H2,1H3,(H,27,29)(H,28,30) | | Definition date: | 2015-08-24 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide |
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 | | N8N | | Name: | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one | | Formula: | C14 H11 Cl N2 O S | | SMILES: | O=C2N(c1cc(Cl)ccc1)C(SC2)c3ncccc3 | | InChi: | InChI=1S/C14H11ClN2OS/c15-10-4-3-5-11(8-10)17-13(18)9-19-14(17)12-6-1-2-7-16-12/h1-8,14H,9H2/t14-/m0/s1 | | Definition date: | 2015-01-29 | | Last modified: | 2015-10-02 | | Release date: | 2015-10-07 | | Identifier: | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one |
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 | | TGW | | Name: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one | | Formula: | C14 H11 Cl2 N3 O | | SMILES: | CN1[CH](NC(=O)c2cccnc12)c3ccc(Cl)cc3Cl | | InChi: | InChI=1S/C14H11Cl2N3O/c1-19-12-10(3-2-6-17-12)14(20)18-13(19)9-5-4-8(15)7-11(9)16/h2-7,13H,1H3,(H,18,20)/t13-/m1/s1 | | Definition date: | 2015-03-06 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one |
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 | | 5WW | | Name: | 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one | | Formula: | C16 H14 N2 O2 | | SMILES: | O=C2c3cccc(c3C=C(c1ccc(OC)cc1)N2)N | | InChi: | InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19) | | Definition date: | 2014-08-07 | | Last modified: | 2015-07-24 | | Release date: | 2015-07-29 | | Identifier: | 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one |
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 | | 35N | | Name: | Copper(II) tetrapyrrole | | Formula: | C16 H16 Cu N4 | | SMILES: | c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4 | | InChi: | InChI=1S/4C4H4N.Cu/c4*1-2-4-5-3-1 | | Definition date: | 2014-06-19 | | Last modified: | 2015-06-15 | | Release date: | 2015-06-10 | | Identifier: | tetra(pyrrol-1-yl)copper |
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 | | R8J | | Name: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | | Formula: | C11 H8 N6 O3 | | SMILES: | OC(=O)c1ccc(nc1)N2NC=C(n3ccnn3)C2=O | | InChi: | InChI=1S/C11H8N6O3/c18-10-8(16-4-3-13-15-16)6-14-17(10)9-2-1-7(5-12-9)11(19)20/h1-6,14H,(H,19,20) | | Definition date: | 2015-06-04 | | Last modified: | 2015-06-12 | | Release date: | 2015-06-17 | | Identifier: | 6-[3-oxidanylidene-4-(1,2,3-triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid |
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 | | 3O8 | | Name: | 1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione | | Formula: | C18 H19 N3 O5 | | SMILES: | O=C2c1c(c(NCCNCCO)ccc1N)C(=O)c3c2c(O)ccc3O | | InChi: | InChI=1S/C18H19N3O5/c19-9-1-2-10(21-6-5-20-7-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,20-24H,5-8,19H2 | | Definition date: | 2014-09-29 | | Last modified: | 2015-03-13 | | Release date: | 2015-03-18 | | Identifier: | 1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione |
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 | | 3OK | | Name: | 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione | | Formula: | C18 H20 N4 O4 | | SMILES: | O=C2c1c(c(NCCN)ccc1NCCN)C(=O)c3c2c(O)ccc3O | | InChi: | InChI=1S/C18H20N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-24H,5-8,19-20H2 | | Definition date: | 2014-09-30 | | Last modified: | 2015-03-13 | | Release date: | 2015-03-18 | | Identifier: | 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione |
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 | | JH5 | | Name: | 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium | | Formula: | C16 H17 N4 | | SMILES: | n1c[n+](cn1Cc2ccccc2)NCc3ccccc3 | | InChi: | InChI=1S/C16H17N4/c1-3-7-15(8-4-1)11-17-20-13-18-19(14-20)12-16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2/q+1 | | Definition date: | 2015-01-26 | | Last modified: | 2015-03-13 | | Release date: | 2015-03-18 | | Identifier: | 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium |
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 | | VS8 | | Name: | N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | | Formula: | C24 H25 N5 | | SMILES: | n1c4c(c(nc1N)NC2CCCCC2)c(c(c3ccccc3)n4)c5ccccc5 | | InChi: | InChI=1S/C24H25N5/c25-24-28-22(26-18-14-8-3-9-15-18)20-19(16-10-4-1-5-11-16)21(27-23(20)29-24)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H4,25,26,27,28,29) | | Definition date: | 2014-01-16 | | Last modified: | 2015-01-16 | | Release date: | 2015-01-21 | | Identifier: | N~4~-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
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 | | NWJ | | Name: | 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Formula: | C18 H16 N6 O | | SMILES: | O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4 | | InChi: | InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23) | | Definition date: | 2014-01-15 | | Last modified: | 2015-01-16 | | Release date: | 2015-01-21 | | Identifier: | 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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 | | XMQ | | Name: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide | | Formula: | C20 H29 Cl2 N5 O2 S | | SMILES: | Clc1cc(cc(Cl)c1S(=O)(=O)Nc2c(n(nc2C)C)C)CCCN3CCN(C)CC3 | | InChi: | InChI=1S/C20H29Cl2N5O2S/c1-14-19(15(2)26(4)23-14)24-30(28,29)20-17(21)12-16(13-18(20)22)6-5-7-27-10-8-25(3)9-11-27/h12-13,24H,5-11H2,1-4H3 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | J1R | | Name: | (1R,19R) cobalt tetradehydrocorrin | | Formula: | C33 H37 Co N4 O4 | | SMILES: | CC1=C(C)[C]2(C)N|3=C1C=C4N|5=C(C=c6n7[Co+]|3|5|N8=C(C=c7c(C)c6CCC(O)=O)C(=C(C)[C]28C)C)C(=C4C)CCC(O)=O | | InChi: | InChI=1S/C33H38N4O4.Co/c1-16-20(5)32(7)33(8)21(6)17(2)27(37-33)14-25-19(4)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)18(3)24(34-28)13-26(16)36-32 | | Definition date: | 2014-06-19 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 |
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 | | J1S | | Name: | (1S,19S) cobalt tetradehydrocorrin | | Formula: | C33 H37 Co N4 O4 | | SMILES: | CC1=C(C)[C]2(C)N|3=C1C=C4N|5=C(C=c6n7[Co+]|3|5|N8=C(C=c7c(C)c6CCC(O)=O)C(=C(C)[C]28C)C)C(=C4C)CCC(O)=O | | InChi: | InChI=1S/C33H38N4O4.Co/c1-16-20(5)32(7)33(8)21(6)17(2)27(37-33)14-25-19(4)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)18(3)24(34-28)13-26(16)36-32 | | Definition date: | 2014-06-19 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 |
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 | | 7L5 | | Name: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide | | Formula: | C21 H28 Cl2 F2 N4 O2 S | | SMILES: | Clc1cc(cc(Cl)c1S(=O)(=O)N(c2c(n(nc2C)C)C)C(F)F)CCCC3CCNCC3 | | InChi: | InChI=1S/C21H28Cl2F2N4O2S/c1-13-19(14(2)28(3)27-13)29(21(24)25)32(30,31)20-17(22)11-16(12-18(20)23)6-4-5-15-7-9-26-10-8-15/h11-12,15,21,26H,4-10H2,1-3H3 | | Definition date: | 2014-08-12 | | Last modified: | 2014-11-28 | | Release date: | 2014-12-03 | | Identifier: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | NF6 | | Name: | 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | | Formula: | C20 H21 N5 O2 S | | SMILES: | O=C3c1c2c(c(N(C)C)cc1)cccc2C(=O)N3CCNCc4nnc(s4)C | | InChi: | InChI=1S/C20H21N5O2S/c1-12-22-23-17(28-12)11-21-9-10-25-19(26)14-6-4-5-13-16(24(2)3)8-7-15(18(13)14)20(25)27/h4-8,21H,9-11H2,1-3H3 | | Definition date: | 2013-12-04 | | Last modified: | 2014-10-31 | | Release date: | 2014-11-05 | | Identifier: | 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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 | | PO6 | | Name: | 2-phenoxyacetamide | | Formula: | C8 H9 N O2 | | SMILES: | O=C(N)COc1ccccc1 | | InChi: | InChI=1S/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) | | Definition date: | 2012-07-19 | | Last modified: | 2014-10-24 | | Release date: | 2014-10-29 | | Identifier: | 2-phenoxyacetamide |
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 | | 1P0 | | Name: | 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol | | Formula: | C15 H24 N10 O3 | | SMILES: | OCCn1nnc(c1)CN(Cc2nnn(c2)CCO)Cc3nnn(c3)CCO | | InChi: | InChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2 | | Definition date: | 2013-04-18 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol |
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 | | 1P4 | | Name: | 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol | | Formula: | C18 H30 N10 O3 | | SMILES: | OCCCn1nnc(c1)CN(Cc2nnn(c2)CCCO)Cc3nnn(c3)CCCO | | InChi: | InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2 | | Definition date: | 2013-04-18 | | Last modified: | 2014-10-17 | | Release date: | 2014-10-22 | | Identifier: | 3,3',3''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]tripropan-1-ol |
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 | | 2XB | | Name: | N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid | | Formula: | C19 H19 N5 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)Cc3c2c(nc(nc2O)N)nc3)CCC(=O)O | | InChi: | InChI=1S/C19H19N5O6/c20-19-23-15-14(17(28)24-19)11(8-21-15)7-9-1-3-10(4-2-9)16(27)22-12(18(29)30)5-6-13(25)26/h1-4,8,12H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t12-/m0/s1 | | Definition date: | 2014-08-15 | | Last modified: | 2014-10-10 | | Release date: | 2014-10-15 | | Identifier: | N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid |
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 | | 640 | | Name: | (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid | | Formula: | C21 H23 N3 O4 | | SMILES: | O=C(c1c(ccnc1)Cc2ccc(cc2)C(C)(C)C)NNC(=O)C=CC(=O)O | | InChi: | InChI=1S/C21H23N3O4/c1-21(2,3)16-6-4-14(5-7-16)12-15-10-11-22-13-17(15)20(28)24-23-18(25)8-9-19(26)27/h4-11,13H,12H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)/b9-8+ | | Definition date: | 2014-04-09 | | Last modified: | 2014-10-03 | | Release date: | 2014-10-01 | | Identifier: | (2E)-4-(2-{[4-(4-tert-butylbenzyl)pyridin-3-yl]carbonyl}hydrazinyl)-4-oxobut-2-enoic acid |
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 | | P3U | | Name: | 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C24 H30 Cl2 N6 O2 S | | SMILES: | Clc3cc(c2ccnc(N1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4CC(C)C)C)C | | InChi: | InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)31(4)29-21)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3 | | Definition date: | 2013-10-09 | | Last modified: | 2014-09-12 | | Release date: | 2014-09-17 | | Identifier: | 2,6-dichloro-N-[1,5-dimethyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]-4-[2-(piperazin-1-yl)pyridin-4-yl]benzenesulfonamide |
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 | | 2XQ | | Name: | 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine | | Formula: | C25 H23 F3 N2 O3 | | SMILES: | Fc4ccc(OCc3oc2cccc(OCCCNCc1cccnc1)c2c3C)c(F)c4F | | InChi: | InChI=1S/C25H23F3N2O3/c1-16-22(15-32-21-9-8-18(26)24(27)25(21)28)33-20-7-2-6-19(23(16)20)31-12-4-11-30-14-17-5-3-10-29-13-17/h2-3,5-10,13,30H,4,11-12,14-15H2,1H3 | | Definition date: | 2013-10-09 | | Last modified: | 2014-09-12 | | Release date: | 2014-09-17 | | Identifier: | 3-({3-methyl-2-[(2,3,4-trifluorophenoxy)methyl]-1-benzofuran-4-yl}oxy)-N-(pyridin-3-ylmethyl)propan-1-amine |
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