| VF9 | Name: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one | Formula: | C12 H17 N O2 | SMILES: | CC(=O)N1CCCCCC1c1ccco1 | InChi: | InChI=1S/C12H17NO2/c1-10(14)13-8-4-2-3-6-11(13)12-7-5-9-15-12/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m0/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one |
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| WBQ | Name: | 6-(2-methoxyanilino)-6-oxohexanoic acid | Formula: | C13 H17 N O4 | SMILES: | COc1ccccc1NC(=O)CCCCC(=O)O | InChi: | InChI=1S/C13H17NO4/c1-18-11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 6-(2-methoxyanilino)-6-oxohexanoic acid |
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| VU5 | Name: | 1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one | Formula: | C8 H16 N2 O2 | SMILES: | O=C1CCCN1CC(O)CNC | InChi: | InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3/t7-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one |
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| WBX | Name: | methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate | Formula: | C10 H15 N3 O2 S | SMILES: | O=C(OC)CN1CCN(CC1)c1nccs1 | InChi: | InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate |
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| VU9 | Name: | 1-phenylpiperazine | Formula: | C10 H14 N2 | SMILES: | c1cc(ccc1)N1CCNCC1 | InChi: | InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 1-phenylpiperazine |
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| WC2 | Name: | 6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine | Formula: | C8 H12 Cl N3 O | SMILES: | Clc1cc(NCCCOC)ncn1 | InChi: | InChI=1S/C8H12ClN3O/c1-13-4-2-3-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine |
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| VUE | Name: | 2-(4-chloro-2-nitroanilino)ethan-1-ol | Formula: | C8 H9 Cl N2 O3 | SMILES: | Clc1cc(c(NCCO)cc1)N(=O)=O | InChi: | InChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 2-(4-chloro-2-nitroanilino)ethan-1-ol |
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| VFL | Name: | (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol | Formula: | C11 H17 N O2 | SMILES: | NCC(O)COc1ccc(C)cc1C | InChi: | InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/m1/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol |
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| WC6 | Name: | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one | Formula: | C10 H8 F N3 O | SMILES: | O=C(Cn1cncn1)c1cccc(F)c1 | InChi: | InChI=1S/C10H8FN3O/c11-9-3-1-2-8(4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one |
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| VUI | Name: | 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene | Formula: | C9 H10 Br N O4 | SMILES: | Brc1cc(c(OCCOC)cc1)N(=O)=O | InChi: | InChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene |
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| VFR | Name: | (3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide | Formula: | C10 H13 N3 O2 | SMILES: | N=C(NO)CC(=O)NCc1ccccc1 | InChi: | InChI=1S/C10H13N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H2,11,13)(H,12,14) | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide |
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| V03 | Name: | (3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol | Formula: | C10 H15 N O2 | SMILES: | COc1ccc(cc1)C(N)CCO | InChi: | InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol |
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| WTN | Name: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide | Formula: | C20 H25 N5 O4 S | SMILES: | O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC | InChi: | InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1 | Definition date: | 2022-10-18 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide |
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| WCB | Name: | 1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one | Formula: | C11 H15 N O2 S | SMILES: | O=C(Cc1ccsc1)N1CC(C)OCC1 | InChi: | InChI=1S/C11H15NO2S/c1-9-7-12(3-4-14-9)11(13)6-10-2-5-15-8-10/h2,5,8-9H,3-4,6-7H2,1H3/t9-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one |
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| VUN | Name: | 4-{[(propan-2-yl)oxy]methyl}benzoic acid | Formula: | C11 H14 O3 | SMILES: | O=C(O)c1ccc(COC(C)C)cc1 | InChi: | InChI=1S/C11H14O3/c1-8(2)14-7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 4-{[(propan-2-yl)oxy]methyl}benzoic acid |
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| V0C | Name: | (2S)-(4-bromophenyl)(piperazin-1-yl)acetonitrile | Formula: | C12 H14 Br N3 | SMILES: | Brc1ccc(cc1)C(C#N)N1CCNCC1 | InChi: | InChI=1S/C12H14BrN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2/t12-/m1/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2S)-(4-bromophenyl)(piperazin-1-yl)acetonitrile |
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| VUU | Name: | N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine | Formula: | C10 H15 N3 S | SMILES: | N=C(NCCc1cccs1)NC1CC1 | InChi: | InChI=1S/C10H15N3S/c11-10(13-8-3-4-8)12-6-5-9-2-1-7-14-9/h1-2,7-8H,3-6H2,(H3,11,12,13) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine |
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| WCI | Name: | N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide | Formula: | C11 H9 Cl2 N3 O | SMILES: | O=C(Nc1ccc(Cl)c(Cl)c1)Cn1cccn1 | InChi: | InChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide |
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| VV0 | Name: | 4-amino-3-methyl-N-(propan-2-yl)benzamide | Formula: | C11 H16 N2 O | SMILES: | Cc1cc(ccc1N)C(=O)NC(C)C | InChi: | InChI=1S/C11H16N2O/c1-7(2)13-11(14)9-4-5-10(12)8(3)6-9/h4-7H,12H2,1-3H3,(H,13,14) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 4-amino-3-methyl-N-(propan-2-yl)benzamide |
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| VV5 | Name: | N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide | Formula: | C12 H12 N2 O S | SMILES: | O=C(NCCc1cccs1)c1cccnc1 | InChi: | InChI=1S/C12H12N2OS/c15-12(10-3-1-6-13-9-10)14-7-5-11-4-2-8-16-11/h1-4,6,8-9H,5,7H2,(H,14,15) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide |
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| WCT | Name: | 3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide | Formula: | C9 H11 F3 N2 O3 | SMILES: | O=C(NCCC(O)C(F)(F)F)c1cc(C)no1 | InChi: | InChI=1S/C9H11F3N2O3/c1-5-4-6(17-14-5)8(16)13-3-2-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16)/t7-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide |
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| V0O | Name: | ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate | Formula: | C9 H12 N2 O2 S | SMILES: | O=C(OCC)c1csc(NC2CC2)n1 | InChi: | InChI=1S/C9H12N2O2S/c1-2-13-8(12)7-5-14-9(11-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11) | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate |
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| WD0 | Name: | (3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide | Formula: | C11 H16 N2 O2 S | SMILES: | COCCNC(=O)C1C=CC2NCSC2=C1 | InChi: | InChI=1S/C11H16N2O2S/c1-15-5-4-12-11(14)8-2-3-9-10(6-8)16-7-13-9/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,12,14)/t8-,9+/m1/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3aS,6R)-N-(2-methoxyethyl)-2,3,3a,6-tetrahydro-1,3-benzothiazole-6-carboxamide |
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| V0X | Name: | (3R)-2,3-dihydro-1-benzofuran-3-amine | Formula: | C8 H9 N O | SMILES: | NC1COc2ccccc21 | InChi: | InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2/t7-/m0/s1 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3R)-2,3-dihydro-1-benzofuran-3-amine |
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| VVF | Name: | 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide | Formula: | C10 H7 F3 N2 O | SMILES: | O=C(Nc1cc(ccc1)C(F)(F)F)CC#N | InChi: | InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide |
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