 | | W0N | | Name: | N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide | | Formula: | C10 H17 N3 O | | SMILES: | O=C(NC(C)(C)CCC)c1cc[NH]n1 | | InChi: | InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,12,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide |
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 | | W0R | | Name: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide | | Formula: | C12 H18 N2 O S | | SMILES: | O=C(Nc1cccnc1)CCSCC(C)C | | InChi: | InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide |
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 | | W0X | | Name: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid | | Formula: | C10 H11 Br O4 S | | SMILES: | Brc1cc(CS(=O)(=O)CCC(=O)O)ccc1 | | InChi: | InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[(3-bromophenyl)methanesulfonyl]propanoic acid |
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 | | W18 | | Name: | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide | | Formula: | C11 H16 N2 O2 | | SMILES: | O=C(NC(CC)CO)c1ccc(N)cc1 | | InChi: | InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide |
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 | | V6R | | Name: | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide | | Formula: | C12 H17 F N2 O | | SMILES: | Fc1ccccc1CN(C)C(=O)C(N)CC | | InChi: | InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide |
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 | | W1E | | Name: | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate | | Formula: | C10 H16 O4 S | | SMILES: | O=S1(=O)C=CC(CC(=O)OCC(C)C)C1 | | InChi: | InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate |
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 | | W1I | | Name: | N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide | | Formula: | C8 H11 Br N2 O2 S | | SMILES: | Brc1ccccc1NS(=O)(=O)N(C)C | | InChi: | InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide |
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 | | V6Z | | Name: | methyl N-(2-chlorobenzoyl)glycinate | | Formula: | C10 H10 Cl N O3 | | SMILES: | O=C(NCC(=O)OC)c1ccccc1Cl | | InChi: | InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(2-chlorobenzoyl)glycinate |
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 | | W1N | | Name: | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid | | Formula: | C10 H12 F N O2 | | SMILES: | Fc1ccccc1CC(N)CC(=O)O | | InChi: | InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid |
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 | | V73 | | Name: | N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide | | Formula: | C11 H15 N O2 | | SMILES: | O=C(Cc1ccccc1)N(C)CCO | | InChi: | InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide |
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 | | W1W | | Name: | 6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine | | Formula: | C10 H9 N3 S | | SMILES: | Nc1cnc(Sc2ncccc2)cc1 | | InChi: | InChI=1S/C10H9N3S/c11-8-4-5-10(13-7-8)14-9-3-1-2-6-12-9/h1-7H,11H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 6-[(pyridin-2-yl)sulfanyl]pyridin-3-amine |
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 | | V7C | | Name: | N-[(2R)-2-cyanopropyl]benzamide | | Formula: | C11 H12 N2 O | | SMILES: | O=C(NCC(C)C#N)c1ccccc1 | | InChi: | InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(2R)-2-cyanopropyl]benzamide |
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 | | WKH | | Name: | N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide | | Formula: | C12 H16 F2 N2 O | | SMILES: | Fc1cc(F)ccc1C(C)NCC(=O)NCC | | InChi: | InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1 | | Definition date: | 2022-09-19 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide |
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 | | WKL | | Name: | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide | | Formula: | C9 H11 N3 O S | | SMILES: | O=C(N(CCN)CC#N)c1cccs1 | | InChi: | InChI=1S/C9H11N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3,5-6,10H2 | | Definition date: | 2022-09-20 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide |
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 | | W2B | | Name: | N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide | | Formula: | C11 H17 N3 O | | SMILES: | O=C(NC1CCCCC1)Cn1cccn1 | | InChi: | InChI=1S/C11H17N3O/c15-11(9-14-8-4-7-12-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide |
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 | | VNC | | Name: | methyl N-(benzenesulfonyl)-N-methylglycinate | | Formula: | C10 H13 N O4 S | | SMILES: | O=S(=O)(N(C)CC(=O)OC)c1ccccc1 | | InChi: | InChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-(benzenesulfonyl)-N-methylglycinate |
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 | | W2I | | Name: | 1-[(3-aminophenyl)methyl]piperidin-4-ol | | Formula: | C12 H18 N2 O | | SMILES: | Nc1cc(CN2CCC(O)CC2)ccc1 | | InChi: | InChI=1S/C12H18N2O/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9,13H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[(3-aminophenyl)methyl]piperidin-4-ol |
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 | | VNN | | Name: | (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone | | Formula: | C11 H16 N2 O S | | SMILES: | Cc1cc(cs1)C(=O)N1CCN(C)CC1 | | InChi: | InChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone |
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 | | WLK | | Name: | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone | | Formula: | C24 H23 N7 O S | | SMILES: | O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1 | | InChi: | InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1 | | Definition date: | 2022-09-28 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone |
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 | | VNU | | Name: | N-(1-phenylcyclobutyl)glycinamide | | Formula: | C12 H16 N2 O | | SMILES: | O=C(NC1(CCC1)c1ccccc1)CN | | InChi: | InChI=1S/C12H16N2O/c13-9-11(15)14-12(7-4-8-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(1-phenylcyclobutyl)glycinamide |
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 | | UTE | | Name: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile | | Formula: | C20 H14 F3 N3 O3 | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(C)cc2C#N | | InChi: | InChI=1S/C20H14F3N3O3/c1-11-5-3-4-6-15(11)29-16-8-14(12(2)7-13(16)10-24)26-18(27)9-17(20(21,22)23)25-19(26)28/h3-9H,1-2H3,(H,25,28) | | Synonyms: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile | | Definition date: | 2021-03-17 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile |
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 | | V8E | | Name: | (4-butanoylpiperazin-1-yl)acetic acid | | Formula: | C10 H18 N2 O3 | | SMILES: | OC(=O)CN1CCN(CC1)C(=O)CCC | | InChi: | InChI=1S/C10H18N2O3/c1-2-3-9(13)12-6-4-11(5-7-12)8-10(14)15/h2-8H2,1H3,(H,14,15) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4-butanoylpiperazin-1-yl)acetic acid |
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 | | W36 | | Name: | 2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide | | Formula: | C9 H13 F N2 O2 S | | SMILES: | O=S(=O)(Nc1ccc(C)c(F)c1)CCN | | InChi: | InChI=1S/C9H13FN2O2S/c1-7-2-3-8(6-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide |
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 | | VO5 | | Name: | N-ethyl-2-methoxybenzene-1-sulfonamide | | Formula: | C9 H13 N O3 S | | SMILES: | O=S(=O)(NCC)c1ccccc1OC | | InChi: | InChI=1S/C9H13NO3S/c1-3-10-14(11,12)9-7-5-4-6-8(9)13-2/h4-7,10H,3H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-ethyl-2-methoxybenzene-1-sulfonamide |
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 | | UTK | | Name: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | Formula: | C19 H11 F4 N3 O3 | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c(F)cc2C#N | | InChi: | InChI=1S/C19H11F4N3O3/c1-10-4-2-3-5-14(10)29-15-7-13(12(20)6-11(15)9-24)26-17(27)8-16(19(21,22)23)25-18(26)28/h2-8H,1H3,(H,25,28) | | Synonyms: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | Definition date: | 2021-03-17 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
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