 | | VQ2 | | Name: | [4-(diethylcarbamoyl)phenyl]boronic acid | | Formula: | C11 H16 B N O3 | | SMILES: | O=C(N(CC)CC)c1ccc(cc1)B(O)O | | InChi: | InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [4-(diethylcarbamoyl)phenyl]boronic acid |
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 | | VQ6 | | Name: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid | | Formula: | C11 H11 F2 N O2 | | SMILES: | OC(=O)C(NC1CC1)c1c(F)cccc1F | | InChi: | InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-(cyclopropylamino)(2,6-difluorophenyl)acetic acid |
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 | | UV5 | | Name: | 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide | | Formula: | C19 H13 F3 N6 O3 | | SMILES: | CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F | | InChi: | InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30) | | Definition date: | 2021-03-22 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide |
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 | | W6C | | Name: | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide | | Formula: | C10 H17 N3 O3 | | SMILES: | O=C(NC(C)COC)C=1CCC(=O)N(C)N=1 | | InChi: | InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide |
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 | | W6H | | Name: | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate | | Formula: | C11 H13 N O3 S | | SMILES: | O=C(/C=C/c1ccsc1)N(C)CC(=O)OC | | InChi: | InChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+ | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate |
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 | | VB9 | | Name: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one | | Formula: | C10 H13 N3 O S2 | | SMILES: | CN(C)CCN1C(=O)c2sccc2NC1=S | | InChi: | InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
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 | | VQF | | Name: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione | | Formula: | C9 H15 N3 O2 | | SMILES: | CN1C(=O)C(CCC)C(=N)N(C)C1=O | | InChi: | InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-/t6-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione |
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 | | U2U | | Name: | N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide | | Formula: | C23 H21 N3 O4 S | | SMILES: | COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cc2ccnc(N)c2cc1 | | InChi: | InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25) | | Definition date: | 2022-08-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide |
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 | | WOR | | Name: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide | | Formula: | C11 H18 N2 O3 S | | SMILES: | Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C | | InChi: | InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3 | | Definition date: | 2022-10-06 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide |
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 | | VQL | | Name: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine | | Formula: | C8 H9 N5 S2 | | SMILES: | Cc1nc(cs1)c1nc(SC)nc(N)n1 | | InChi: | InChI=1S/C8H9N5S2/c1-4-10-5(3-15-4)6-11-7(9)13-8(12-6)14-2/h3H,1-2H3,(H2,9,11,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine |
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 | | VBI | | Name: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide | | Formula: | C10 H13 Cl N2 O3 S | | SMILES: | Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O | | InChi: | InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide |
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 | | W6W | | Name: | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide | | Formula: | C11 H15 Br N2 O | | SMILES: | Brc1ccccc1CN(C)CCC(N)=O | | InChi: | InChI=1S/C11H15BrN2O/c1-14(7-6-11(13)15)8-9-4-2-3-5-10(9)12/h2-5H,6-8H2,1H3,(H2,13,15) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~3~-[(2-bromophenyl)methyl]-N~3~-methyl-beta-alaninamide |
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 | | VQU | | Name: | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid | | Formula: | C9 H10 N2 O2 S | | SMILES: | OC(=O)C1NC(SC1)c1cnccc1 | | InChi: | InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid |
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 | | VBO | | Name: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate | | Formula: | C8 H10 N2 O4 | | SMILES: | O=C(CCN1C=CC(=O)NC1=O)OC | | InChi: | InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate |
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 | | VBQ | | Name: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid | | Formula: | C16 H11 N O4 | | SMILES: | OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19) | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid |
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 | | U39 | | Name: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide | | Formula: | C18 H20 N2 O4 S | | SMILES: | O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1 | | InChi: | InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21) | | Definition date: | 2022-08-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide |
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 | | VBX | | Name: | N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide | | Formula: | C11 H15 N3 O2 | | SMILES: | CNC(=O)c1ccccc1NCC(=O)NC | | InChi: | InChI=1S/C11H15N3O2/c1-12-10(15)7-14-9-6-4-3-5-8(9)11(16)13-2/h3-6,14H,7H2,1-2H3,(H,12,15)(H,13,16) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide |
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 | | VR6 | | Name: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine | | Formula: | C12 H14 N2 O2 | | SMILES: | C(CNCc1ccco1)Oc1ccccn1 | | InChi: | InChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(furan-2-yl)methyl]-2-[(pyridin-2-yl)oxy]ethan-1-amine |
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 | | VRH | | Name: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide | | Formula: | C11 H15 N O4 | | SMILES: | COc1cc(C)ccc1OCC(=O)NOC | | InChi: | InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(H,12,13) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide |
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 | | VCB | | Name: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid | | Formula: | C22 H15 N O4 | | SMILES: | OC(=O)[CH](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4 | | InChi: | InChI=1S/C22H15NO4/c24-20-15-10-5-4-9-14(15)18-16(20)11-6-12-17(18)21(25)23-19(22(26)27)13-7-2-1-3-8-13/h1-12,19H,(H,23,25)(H,26,27)/t19-/m1/s1 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid |
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 | | VRL | | Name: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate | | Formula: | C11 H13 N O3 | | SMILES: | O=C(OC)C1NCCc2cc(O)ccc12 | | InChi: | InChI=1S/C11H13NO3/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10/h2-3,6,10,12-13H,4-5H2,1H3/t10-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl (1R)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate |
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 | | VRR | | Name: | ethyl N-benzyl-beta-alaninate | | Formula: | C12 H17 N O2 | | SMILES: | O=C(OCC)CCNCc1ccccc1 | | InChi: | InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl N-benzyl-beta-alaninate |
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 | | VCN | | Name: | ~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide | | Formula: | C18 H17 N O2 | | SMILES: | CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12 | | InChi: | InChI=1S/C18H17NO2/c1-3-19(4-2)18(21)15-11-7-10-14-16(15)12-8-5-6-9-13(12)17(14)20/h5-11H,3-4H2,1-2H3 | | Definition date: | 2021-05-05 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide |
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 | | W7X | | Name: | 1-(6-methylpyridin-2-yl)-1,4-diazepane | | Formula: | C11 H17 N3 | | SMILES: | Cc1nc(ccc1)N1CCCNCC1 | | InChi: | InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(6-methylpyridin-2-yl)-1,4-diazepane |
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 | | VCO | | Name: | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate | | Formula: | C11 H16 N2 O2 | | SMILES: | O=C(OCC)C(C#N)=C1CCCCCN1 | | InChi: | InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9- | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate |
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