 | | 952 | | Name: | 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione | | Formula: | C23 H25 N3 O3 | | SMILES: | CC1=CN([CH]2CCCN(C2)Cc3cccc(Oc4ccccc4)c3)C(=O)NC1=O | | InChi: | InChI=1S/C23H25N3O3/c1-17-14-26(23(28)24-22(17)27)19-8-6-12-25(16-19)15-18-7-5-11-21(13-18)29-20-9-3-2-4-10-20/h2-5,7,9-11,13-14,19H,6,8,12,15-16H2,1H3,(H,24,27,28)/t19-/m0/s1 | | Definition date: | 2017-04-21 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione |
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 | | C4V | | Name: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid | | Formula: | C26 H35 N3 O3 | | SMILES: | CC(CN(CC(C)C)c1ccc(cc1NC(Nc2ccc(cc2)C)=O)C3C(C(=O)O)C3)C | | InChi: | InChI=1S/C26H35N3O3/c1-16(2)14-29(15-17(3)4)24-11-8-19(21-13-22(21)25(30)31)12-23(24)28-26(32)27-20-9-6-18(5)7-10-20/h6-12,16-17,21-22H,13-15H2,1-5H3,(H,30,31)(H2,27,28,32)/t21-,22-/m1/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid |
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 | | C51 | | Name: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide | | Formula: | C25 H25 N3 O | | SMILES: | c1(ccc(C#N)cc1)NC(C(C4CCC(c2ccnc3c2cccc3)CC4)C)=O | | InChi: | InChI=1S/C25H25N3O/c1-17(25(29)28-21-12-6-18(16-26)7-13-21)19-8-10-20(11-9-19)22-14-15-27-24-5-3-2-4-23(22)24/h2-7,12-15,17,19-20H,8-11H2,1H3,(H,28,29)/t17-,19-,20+/m1/s1 | | Definition date: | 2017-09-13 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide |
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 | | CWV | | Name: | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid | | Formula: | C15 H13 B N2 O2 | | SMILES: | B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3 | | InChi: | InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18) | | Definition date: | 2017-10-05 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid |
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 | | D3H | | Name: | ~{N}-(4-aminophenyl)-2-azanyl-ethanamide | | Formula: | C8 H11 N3 O | | SMILES: | NCC(=O)Nc1ccc(N)cc1 | | InChi: | InChI=1S/C8H11N3O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,9-10H2,(H,11,12) | | Definition date: | 2017-12-16 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | ~{N}-(4-aminophenyl)-2-azanyl-ethanamide |
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 | | 8G0 | | Name: | benzene-1,3-dicarboxylic acid | | Formula: | C8 H6 O4 | | SMILES: | OC(=O)c1cccc(c1)C(O)=O | | InChi: | InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) | | Definition date: | 2017-06-30 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | benzene-1,3-dicarboxylic acid |
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 | | 8GL | | Name: | (2S)-2-azanyl-2-oxidanyl-pentanedioic acid | | Formula: | C5 H9 N O5 | | SMILES: | N[C](O)(CCC(O)=O)C(O)=O | | InChi: | InChI=1S/C5H9NO5/c6-5(11,4(9)10)2-1-3(7)8/h11H,1-2,6H2,(H,7,8)(H,9,10)/t5-/m0/s1 | | Definition date: | 2017-07-05 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (2~{S})-2-azanyl-2-oxidanyl-pentanedioic acid |
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 | | 8PQ | | Name: | 4-bromanyl-3,5-dimethyl-1~{H}-pyrazole | | Formula: | C5 H7 Br N2 | | SMILES: | Cc1[nH]nc(C)c1Br | | InChi: | InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8) | | Definition date: | 2017-02-21 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 4-bromanyl-3,5-dimethyl-1~{H}-pyrazole |
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 | | 8RT | | Name: | (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | | Formula: | C22 H21 F3 N4 O3 | | SMILES: | Cn1cc(NC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14 | | InChi: | InChI=1S/C22H21F3N4O3/c1-28-13-17(16-8-2-3-9-18(16)28)27-21(31)29-11-5-10-19(29)20(30)26-14-6-4-7-15(12-14)32-22(23,24)25/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,26,30)(H,27,31)/t19-/m0/s1 | | Definition date: | 2017-02-28 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
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 | | BNY | | Name: | 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid | | Formula: | C14 H12 N2 O4 | | SMILES: | O=C(c2ccccc2Nc1c(c(N(=O)=O)ccc1)C)O | | InChi: | InChI=1S/C14H12N2O4/c1-9-11(7-4-8-13(9)16(19)20)15-12-6-3-2-5-10(12)14(17)18/h2-8,15H,1H3,(H,17,18) | | Definition date: | 2017-08-17 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid |
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 | | DLK | | Name: | 2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione | | Formula: | C21 H21 N O3 | | SMILES: | COc1ccccc1N[C](C)=[C]2C(=O)C[CH](CC2=O)c3ccccc3 | | InChi: | InChI=1S/C21H21NO3/c1-14(22-17-10-6-7-11-20(17)25-2)21-18(23)12-16(13-19(21)24)15-8-4-3-5-9-15/h3-11,16,22H,12-13H2,1-2H3/b21-14-/t16-/m0/s1 | | Definition date: | 2018-01-24 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 2-[1-[(2-methoxyphenyl)amino]ethylidene]-5-phenyl-cyclohexane-1,3-dione |
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 | | DZK | | Name: | (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid | | Formula: | C11 H12 O4 S | | SMILES: | OC(=O)C[CH](SCc1ccccc1)C(O)=O | | InChi: | InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1 | | Definition date: | 2018-02-06 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid |
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 | | E3S | | Name: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide | | Formula: | C26 H28 F N3 O5 | | SMILES: | c3cc2C(C(=O)Nc1cc(c(cc1)C(C)(C)C)F)N(CCc2cc3OC)C(CC4=CC(=O)NO4)=O | | InChi: | InChI=1S/C26H28FN3O5/c1-26(2,3)20-8-5-16(12-21(20)27)28-25(33)24-19-7-6-17(34-4)11-15(19)9-10-30(24)23(32)14-18-13-22(31)29-35-18/h5-8,11-13,24H,9-10,14H2,1-4H3,(H,28,33)(H,29,31)/t24-/m1/s1 | | Definition date: | 2017-11-30 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
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 | | E3V | | Name: | {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | | Formula: | C28 H30 F N3 O5 | | SMILES: | c5cc1c(CCN(C1C(=O)Nc2cc3c(c(c2)F)C(C=C3)(C)C)C(C4CC(CC(O)=O)C4)=O)nc5OC | | InChi: | InChI=1S/C28H30FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(35)25-19-4-5-22(37-3)31-21(19)7-9-32(25)27(36)17-10-15(11-17)12-23(33)34/h4-6,8,13-15,17,25H,7,9-12H2,1-3H3,(H,30,35)(H,33,34)/t15-,17+,25-/m1/s1 | | Definition date: | 2017-11-30 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid |
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 | | E9N | | Name: | (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid | | Formula: | C11 H12 O4 S | | SMILES: | OC(=O)C[CH](SCc1ccccc1)C(O)=O | | InChi: | InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1 | | Definition date: | 2018-03-07 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid |
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 | | EJP | | Name: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile | | Formula: | C24 H20 Cl N5 O3 | | SMILES: | N#Cc2ccc1N(C(C(COc1c2)N3C(c5c(CC3)c(n(Cc4ccccc4)n5)Cl)=O)=O)C | | InChi: | InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1 | | Definition date: | 2018-01-14 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile |
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 | | EJY | | Name: | 2-benzyl-5-nitro-1H-benzimidazole | | Formula: | C14 H11 N3 O2 | | SMILES: | c1(cc2c(cc1)nc(n2)Cc3ccccc3)[N+](=O)[O-] | | InChi: | InChI=1S/C14H11N3O2/c18-17(19)11-6-7-12-13(9-11)16-14(15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) | | Definition date: | 2018-01-16 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 2-benzyl-5-nitro-1H-benzimidazole |
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 | | EKG | | Name: | (2R)-2,3-dihydroxypropyl hexadecanoate | | Formula: | C19 H38 O4 | | SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(CO)O | | InChi: | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1 | | Definition date: | 2018-01-17 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (2R)-2,3-dihydroxypropyl hexadecanoate |
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 | | F3D | | Name: | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide | | Formula: | C31 H36 N4 O2 | | SMILES: | C(/C(c1ccccc1)=C(/c2ccc(cc2)OCCNCCCC(N(C)C)=O)c3ccc4nncc4c3)C | | InChi: | InChI=1S/C31H36N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-7,9-10,12-17,21-22,32H,4,8,11,18-20H2,1-3H3,(H,33,34)/b31-28+ | | Definition date: | 2018-02-26 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide |
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 | | F7D | | Name: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one | | Formula: | C19 H15 F2 N5 O2 | | SMILES: | c12N(CC#C)C(=O)C(C)N(CC#C)c1nc(nc2)Nc3cc(F)c(O)c(c3)F | | InChi: | InChI=1S/C19H15F2N5O2/c1-4-6-25-11(3)18(28)26(7-5-2)15-10-22-19(24-17(15)25)23-12-8-13(20)16(27)14(21)9-12/h1-2,8-11,27H,6-7H2,3H3,(H,22,23,24)/t11-/m1/s1 | | Definition date: | 2018-03-08 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
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 | | DE5 | | Name: | 2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide | | Formula: | C5 H7 N3 O S | | SMILES: | NCC(=O)Nc1sccn1 | | InChi: | InChI=1S/C5H7N3OS/c6-3-4(9)8-5-7-1-2-10-5/h1-2H,3,6H2,(H,7,8,9) | | Definition date: | 2018-01-15 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide |
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 | | DEW | | Name: | 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone | | Formula: | C9 H12 N2 O S | | SMILES: | NCC(=O)N1CCc2sccc2C1 | | InChi: | InChI=1S/C9H12N2OS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6,10H2 | | Definition date: | 2018-01-16 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone |
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 | | G63 | | Name: | mannose-alpha-1,3-2-aminodeoxymannojirimycin | | Formula: | C6 H14 N2 O3 | | SMILES: | N[CH]1CN[CH](CO)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H14N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6-/m1/s1 | | Definition date: | 2017-12-15 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | (2~{R},3~{R},4~{R},5~{R})-5-azanyl-2-(hydroxymethyl)piperidine-3,4-diol |
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 | | T41 | | Name: | 1-(2-O-METHYL-BETA-D-ARABINOFURANOSYL)THYMIDINE 5'-MONOPHOSPHATE | | Formula: | C11 H17 N2 O9 P | | SMILES: | N1(C(NC(C(C)=C1)=O)=O)C2C(OC)C(C(O2)COP(=O)(O)O)O | | InChi: | InChI=1S/C11H17N2O9P/c1-5-3-13(11(16)12-9(5)15)10-8(20-2)7(14)6(22-10)4-21-23(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8+,10-/m1/s1 | | Definition date: | 1995-10-15 | | Last modified: | 2018-03-14 | | Identifier: | 5-methyl-1-(2-O-methyl-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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 | | T38 | | Name: | 2'-O-ETHOXYMETHYLENE THYMIDINE 5'-MONOPHOSPHATE | | Formula: | C13 H21 N2 O10 P | | SMILES: | P(=O)(O)(O)OCC1OC(C(C1O)OCOCC)N2C(=O)NC(=O)C(C)=C2 | | InChi: | InChI=1S/C13H21N2O10P/c1-3-22-6-23-10-9(16)8(5-24-26(19,20)21)25-12(10)15-4-7(2)11(17)14-13(15)18/h4,8-10,12,16H,3,5-6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1 | | Definition date: | 1998-07-29 | | Last modified: | 2018-03-14 | | Identifier: | 2'-O-(ethoxymethyl)-5-methyluridine 5'-(dihydrogen phosphate) |
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