| 98W | Name: | dimethyl 5-oxidanylbenzene-1,3-dicarboxylate | Formula: | C10 H10 O5 | SMILES: | COC(=O)c1cc(O)cc(c1)C(=O)OC | InChi: | InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3 | Definition date: | 2017-04-28 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | dimethyl 5-oxidanylbenzene-1,3-dicarboxylate |
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| 98Z | Name: | 1~{H}-indole-3-carbonitrile | Formula: | C9 H6 N2 | SMILES: | N#Cc1c[nH]c2ccccc12 | InChi: | InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H | Definition date: | 2017-04-28 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 1~{H}-indole-3-carbonitrile |
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| UJQ | Name: | 9~{H}-xanthene-9-carboxylic acid | Formula: | C14 H10 O3 | SMILES: | OC(=O)C1c2ccccc2Oc3ccccc13 | InChi: | InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16) | Definition date: | 2021-02-25 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 9~{H}-xanthene-9-carboxylic acid |
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| UJZ | Name: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole | Formula: | C8 H4 Br F3 N2 | SMILES: | FC(F)(F)c1cc(Br)c2nc[nH]c2c1 | InChi: | InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14) | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole |
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| UK2 | Name: | (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron | Formula: | C7 H8 B N O4 | SMILES: | Cc1ccc(cc1[N+]([O-])=O)B(O)O | InChi: | InChI=1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3 | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | (4-methyl-3-nitro-phenyl)boronic acid |
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| UKE | Name: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid | Formula: | C9 H7 N O4 | SMILES: | COc1ccc2oc(nc2c1)C(O)=O | InChi: | InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12) | Synonyms: | 5-Methoxybenzo[d]oxazole-2-carboxylic acid | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid |
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| UMH | Name: | 6-methoxyquinoline-3-carboxylic acid | Formula: | C11 H9 N O3 | SMILES: | COc1ccc2ncc(cc2c1)C(O)=O | InChi: | InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14) | Definition date: | 2021-03-02 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 6-methoxyquinoline-3-carboxylic acid |
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| UOK | Name: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile | Formula: | C11 H10 N2 O | SMILES: | COc1ccc2[nH]cc(CC#N)c2c1 | InChi: | InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3 | Definition date: | 2021-03-03 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile |
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| AF6 | Name: | N-benzyl-9H-beta-carbolin-3-amine | Formula: | C18 H15 N3 | SMILES: | c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4 | InChi: | InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20) | Definition date: | 2018-11-01 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-benzyl-9H-beta-carbolin-3-amine |
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| VYJ | Name: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | Formula: | C36 H46 N8 O3 | SMILES: | C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7 | InChi: | InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39) | Definition date: | 2020-09-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
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| T3K | Name: | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one | Formula: | C21 H30 N2 O5 | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3 | InChi: | InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+ | Definition date: | 2020-12-14 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one |
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| S8Q | Name: | 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone | Formula: | C22 H32 N2 O5 | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3 | InChi: | InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1 | Definition date: | 2020-11-11 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone |
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| S9W | Name: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide | Formula: | C25 H30 Br N3 O3 | SMILES: | Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1 | InChi: | InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31) | Definition date: | 2020-11-13 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide |
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| S9Z | Name: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide | Formula: | C25 H30 Br N3 O3 | SMILES: | CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3 | InChi: | InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32) | Definition date: | 2020-11-13 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide |
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| WV1 | Name: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide | Formula: | C12 H16 N2 O | SMILES: | c2c(NC(=O)C1CC1)ccc(c2)C(C)N | InChi: | InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1 | Definition date: | 2020-11-17 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
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| WV4 | Name: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline | Formula: | C9 H12 F N O2 S | SMILES: | c1cc(NCC)c(cc1S(C)(=O)=O)F | InChi: | InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3 | Definition date: | 2020-11-17 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline |
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| WVD | Name: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one | Formula: | C9 H11 N3 O2 S | SMILES: | C2NC(=O)CN(C(c1c(C)ncs1)=O)C2 | InChi: | InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13) | Definition date: | 2020-11-17 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one |
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| WZM | Name: | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide | Formula: | C10 H14 N4 O | SMILES: | c1(ccc(nn1)N(C)C2CCC2)C(=O)N | InChi: | InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15) | Definition date: | 2020-11-19 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide |
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| WZP | Name: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one | Formula: | C11 H22 N2 O | SMILES: | C1CN(C(C(C)C)=O)CCN1C(C)C | InChi: | InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3 | Definition date: | 2020-11-19 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one |
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| WZS | Name: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one | Formula: | C15 H22 N2 O | SMILES: | c2c(CCNC1CCN(C(C)=O)CC1)cccc2 | InChi: | InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3 | Definition date: | 2020-11-19 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one |
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| WZY | Name: | N-(4-methoxyphenyl)glycinamide | Formula: | C9 H12 N2 O2 | SMILES: | N(c1ccc(cc1)OC)C(CN)=O | InChi: | InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12) | Definition date: | 2020-11-19 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-(4-methoxyphenyl)glycinamide |
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| X0M | Name: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide | Formula: | C11 H14 N2 O | SMILES: | c2c1CC(CNc1ccc2)NC(C)=O | InChi: | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1 | Definition date: | 2020-11-19 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide |
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| X0S | Name: | 2-chloro-N-methylbenzene-1-sulfonamide | Formula: | C7 H8 Cl N O2 S | SMILES: | c1c(S(NC)(=O)=O)c(Cl)ccc1 | InChi: | InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3 | Definition date: | 2020-11-19 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-chloro-N-methylbenzene-1-sulfonamide |
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| X1G | Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide | Formula: | C13 H17 N O3 | SMILES: | c1cc(CNC(CC(C)C)=O)cc2c1OCO2 | InChi: | InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15) | Definition date: | 2020-11-20 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide |
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| XWJ | Name: | N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide | Formula: | C25 H25 N5 O2 | SMILES: | Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4 | InChi: | InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32) | Definition date: | 2021-01-15 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide |
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