 | | T1I | | Name: | (1P)-[1,1'-biphenyl]-3,3'-diol | | Formula: | C12 H10 O2 | | SMILES: | Oc1cc(ccc1)c1cc(O)ccc1 | | InChi: | InChI=1S/C12H10O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8,13-14H | | Synonyms: | 3,3'-Biphenol | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1P)-[1,1'-biphenyl]-3,3'-diol |
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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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 | | 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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 | | 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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 | | 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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 | | 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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 | | VVR | | Name: | 3-phenoxypropanoic acid | | Formula: | C9 H10 O3 | | SMILES: | O=C(O)CCOc1ccccc1 | | InChi: | InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-phenoxypropanoic acid |
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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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 | | VW3 | | Name: | N-hydroxy-3-phenoxypropanamide | | Formula: | C9 H11 N O3 | | SMILES: | ONC(=O)CCOc1ccccc1 | | InChi: | InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-hydroxy-3-phenoxypropanamide |
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 | | VW8 | | Name: | (1E)-N-hydroxy(phenoxy)ethanimidamide | | Formula: | C8 H10 N2 O2 | | SMILES: | N=C(COc1ccccc1)NO | | InChi: | InChI=1S/C8H10N2O2/c9-8(10-11)6-12-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1E)-N-hydroxy(phenoxy)ethanimidamide |
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 | | VHO | | Name: | N-cyclopropyl-2-(3-fluorophenoxy)acetamide | | Formula: | C11 H12 F N O2 | | SMILES: | O=C(COc1cccc(F)c1)NC1CC1 | | InChi: | InChI=1S/C11H12FNO2/c12-8-2-1-3-10(6-8)15-7-11(14)13-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-cyclopropyl-2-(3-fluorophenoxy)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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 | | VI2 | | Name: | N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea | | Formula: | C10 H14 N2 O S | | SMILES: | S=C(Nc1cc(C)ccc1)NCCO | | InChi: | InChI=1S/C10H14N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea |
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 | | VWR | | Name: | 1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine | | Formula: | C8 H11 N5 S | | SMILES: | CCn1nnnc1NCc1cccs1 | | InChi: | InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine |
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 | | VI8 | | Name: | 3-{[(pyridin-3-yl)methyl]amino}benzoic acid | | Formula: | C13 H12 N2 O2 | | SMILES: | O=C(O)c1cc(NCc2cccnc2)ccc1 | | InChi: | InChI=1S/C13H12N2O2/c16-13(17)11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-{[(pyridin-3-yl)methyl]amino}benzoic acid |
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 | | VIE | | Name: | 2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine | | Formula: | C12 H18 N2 | | SMILES: | CN(C)C1(Cc2ccccc2C1)CN | | InChi: | InChI=1S/C12H18N2/c1-14(2)12(9-13)7-10-5-3-4-6-11(10)8-12/h3-6H,7-9,13H2,1-2H3 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine |
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 | | VIK | | Name: | methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate | | Formula: | C7 H12 O4 S | | SMILES: | O=S1(=O)CCC(CC(=O)OC)C1 | | InChi: | InChI=1S/C7H12O4S/c1-11-7(8)4-6-2-3-12(9,10)5-6/h6H,2-5H2,1H3/t6-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate |
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 | | VX5 | | Name: | (3R)-N-cyclohexylpiperidine-3-carboxamide | | Formula: | C12 H22 N2 O | | SMILES: | O=C(NC1CCCCC1)C1CCCNC1 | | InChi: | InChI=1S/C12H22N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h10-11,13H,1-9H2,(H,14,15)/t10-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3R)-N-cyclohexylpiperidine-3-carboxamide |
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 | | M6X | | Name: | N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide | | Formula: | C19 H20 N2 O6 | | SMILES: | ONC(=O)CCN(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1 | | InChi: | InChI=1S/C19H20N2O6/c22-19(20-23)5-6-21(9-13-1-3-15-17(7-13)26-11-24-15)10-14-2-4-16-18(8-14)27-12-25-16/h1-4,7-8,23H,5-6,9-12H2,(H,20,22) | | Definition date: | 2022-03-14 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide |
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 | | VIP | | Name: | 3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol | | Formula: | C9 H13 N O2 | | SMILES: | NC(C)(CO)c1cc(O)ccc1 | | InChi: | InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol |
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 | | VXF | | Name: | 1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine | | Formula: | C10 H15 N3 O | | SMILES: | NCc1cc(ncc1)N1CCOCC1 | | InChi: | InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine |
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 | | VIX | | Name: | (2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid | | Formula: | C12 H14 Cl N O3 | | SMILES: | OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid |
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 | | VJ0 | | Name: | (1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine | | Formula: | C9 H12 F N O | | SMILES: | Fc1cc(ccc1OC)C(C)N | | InChi: | InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m0/s1 | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1S)-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine |
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 | | VXW | | Name: | N-[(4-methylphenyl)methyl]-3-oxobutanamide | | Formula: | C12 H15 N O2 | | SMILES: | CC(=O)CC(=O)NCc1ccc(C)cc1 | | InChi: | InChI=1S/C12H15NO2/c1-9-3-5-11(6-4-9)8-13-12(15)7-10(2)14/h3-6H,7-8H2,1-2H3,(H,13,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(4-methylphenyl)methyl]-3-oxobutanamide |
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