 | | 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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 | | 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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 | | WAX | | Name: | (3-aminophenyl)(morpholin-4-yl)methanone | | Formula: | C11 H14 N2 O2 | | SMILES: | O=C(c1cccc(N)c1)N1CCOCC1 | | InChi: | InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3-aminophenyl)(morpholin-4-yl)methanone |
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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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 | | 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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 | | 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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 | | WB6 | | Name: | 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide | | Formula: | C10 H18 Cl N3 O2 S | | SMILES: | Clc1c(ncn1C)S(=O)(=O)N(C)C(C)CCC | | InChi: | InChI=1S/C10H18ClN3O2S/c1-5-6-8(2)14(4)17(15,16)10-9(11)13(3)7-12-10/h7-8H,5-6H2,1-4H3/t8-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide |
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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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 | | 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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 | | 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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 | | WBL | | Name: | propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate | | Formula: | C8 H13 N3 O2 S2 | | SMILES: | Nc1nnc(SC(C)C(=O)OCCC)s1 | | InChi: | InChI=1S/C8H13N3O2S2/c1-3-4-13-6(12)5(2)14-8-11-10-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,10)/t5-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate |
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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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 | | 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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 | | 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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 | | VVK | | Name: | N-(2-methoxyphenyl)-2-methyl-L-alanine | | Formula: | C11 H15 N O3 | | SMILES: | COc1ccccc1NC(C)(C)C(=O)O | | InChi: | InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-methoxyphenyl)-2-methyl-L-alanine |
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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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 | | O2L | | Name: | N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide | | Formula: | C17 H16 F4 N2 O4 S | | SMILES: | Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C | | InChi: | InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24) | | Definition date: | 2022-04-17 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide |
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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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 | | 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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 | | VGU | | Name: | N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide | | Formula: | C9 H8 N2 O3 | | SMILES: | O=C(/N=C/C(=O)NO)c1ccccc1 | | InChi: | InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+ | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide |
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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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 | | VWC | | Name: | 4-(2-methylpropoxy)benzohydrazide | | Formula: | C11 H16 N2 O2 | | SMILES: | NNC(=O)c1ccc(OCC(C)C)cc1 | | InChi: | InChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(2-methylpropoxy)benzohydrazide |
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 | | VWH | | Name: | 2-[(cyclopentylamino)methyl]-6-methoxyphenol | | Formula: | C13 H19 N O2 | | SMILES: | COc1cccc(CNC2CCCC2)c1O | | InChi: | InChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(cyclopentylamino)methyl]-6-methoxyphenol |
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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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 | | VH9 | | Name: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol | | Formula: | C11 H16 F N O | | SMILES: | OC(CNC(C)C)c1ccc(F)cc1 | | InChi: | InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol |
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