 | | W4L | | Name: | N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide | | Formula: | C12 H18 Cl N3 O | | SMILES: | Clc1ccc(CN(CC)CC(=O)NCC)cn1 | | InChi: | InChI=1S/C12H18ClN3O/c1-3-14-12(17)9-16(4-2)8-10-5-6-11(13)15-7-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,17) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide |
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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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 | | VOK | | Name: | 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione | | Formula: | C9 H14 N2 O3 | | SMILES: | O=C1NC(=O)N(C)C(=O)C1(CC)CC | | InChi: | InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione |
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 | | W4R | | Name: | methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate | | Formula: | C12 H13 Cl2 N O3 | | SMILES: | Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC | | InChi: | InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate |
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 | | UTN | | Name: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile | | Formula: | C20 H14 F3 N3 O4 | | SMILES: | COc1cc(C#N)c(Oc2ccccc2C)cc1N3C(=O)NC(=CC3=O)C(F)(F)F | | InChi: | InChI=1S/C20H14F3N3O4/c1-11-5-3-4-6-14(11)30-15-8-13(16(29-2)7-12(15)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-methoxy-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-methoxy-2-(2-methylphenoxy)benzenecarbonitrile |
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 | | V9X | | Name: | 3-(1H-indol-3-yl)propanamide | | Formula: | C11 H12 N2 O | | SMILES: | NC(=O)CCc1c[NH]c2ccccc21 | | InChi: | InChI=1S/C11H12N2O/c12-11(14)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2,(H2,12,14) | | Definition date: | 2022-08-29 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-(1H-indol-3-yl)propanamide |
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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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 | | W4W | | Name: | ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile | | Formula: | C11 H18 N2 O S | | SMILES: | O=C(CSCC#N)N1CCCCC1CC | | InChi: | InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | ({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile |
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 | | UTQ | | Name: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione | | Formula: | C13 H10 Cl F3 N2 O4 | | SMILES: | COc1cc(OC)c(cc1Cl)N2C(=O)NC(=CC2=O)C(F)(F)F | | InChi: | InChI=1S/C13H10ClF3N2O4/c1-22-8-4-9(23-2)7(3-6(8)14)19-11(20)5-10(13(15,16)17)18-12(19)21/h3-5H,1-2H3,(H,18,21) | | Synonyms: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione | | Definition date: | 2021-03-17 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1~{H}-pyrimidine-2,4-dione |
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 | | VOQ | | Name: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide | | Formula: | C11 H19 N3 O2 | | SMILES: | CN(Cc1c(C)onc1C)C(=O)C(C)(C)N | | InChi: | InChI=1S/C11H19N3O2/c1-7-9(8(2)16-13-7)6-14(5)10(15)11(3,4)12/h6,12H2,1-5H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide |
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 | | UTT | | Name: | 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C17 H14 Cl F2 N5 O | | SMILES: | CCCC1=CC(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2N1 | | InChi: | InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24) | | Synonyms: | 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Definition date: | 2021-03-17 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | W50 | | Name: | (2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol | | Formula: | C13 H18 Br N O2 | | SMILES: | OC(COc1ccccc1Br)CN1CCCC1 | | InChi: | InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol |
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 | | VOW | | Name: | (4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron | | Formula: | C8 H11 B O3 | | SMILES: | CCOc1ccc(cc1)B(O)O | | InChi: | InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (4-ethoxyphenyl)boronic acid |
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 | | W55 | | Name: | 2H-1-benzopyran-3-carboxylic acid | | Formula: | C10 H8 O3 | | SMILES: | O=C(O)C1=Cc2ccccc2OC1 | | InChi: | InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2H-1-benzopyran-3-carboxylic acid |
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 | | UU2 | | Name: | 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | Formula: | C25 H16 F3 N3 O3 | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)c4ccccc4)c(F)cc2C#N | | InChi: | InChI=1S/C25H16F3N3O3/c1-15-7-5-6-10-20(15)34-21-12-19(18(26)11-16(21)14-29)31-23(32)13-22(30-24(31)33)25(27,28)17-8-3-2-4-9-17/h2-13H,1H3,(H,30,33) | | Synonyms: | 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | Definition date: | 2021-03-19 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
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 | | VP0 | | Name: | [(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid | | Formula: | C13 H15 N O3 | | SMILES: | O=C(O)CC1c2ccccc2CCN1C(C)=O | | InChi: | InChI=1S/C13H15NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-5,12H,6-8H2,1H3,(H,16,17)/t12-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | [(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid |
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 | | VP3 | | Name: | 4-(4-fluorophenyl)-4-oxobutanoic acid | | Formula: | C10 H9 F O3 | | SMILES: | O=C(CCC(=O)O)c1ccc(F)cc1 | | InChi: | InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(4-fluorophenyl)-4-oxobutanoic acid |
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 | | UU8 | | Name: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1H-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | Formula: | C24 H16 F N3 O5 S | | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)[S](=O)(=O)c4ccccc4)c(F)cc2C#N | | InChi: | InChI=1S/C24H16FN3O5S/c1-15-7-5-6-10-20(15)33-21-12-19(18(25)11-16(21)14-26)28-23(29)13-22(27-24(28)30)34(31,32)17-8-3-2-4-9-17/h2-13H,1H3,(H,27,30) | | Synonyms: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile | | Definition date: | 2021-03-19 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-[2,4-bis(oxidanylidene)-6-(phenylsulfonyl)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile |
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 | | W5C | | Name: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one | | Formula: | C11 H11 N3 O S | | SMILES: | Cn1cnnc1SCC(=O)c1ccccc1 | | InChi: | InChI=1S/C11H11N3OS/c1-14-8-12-13-11(14)16-7-10(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one |
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 | | VP8 | | Name: | (3-ethoxyphenyl)boronic acid | | Formula: | C8 H11 B O3 | | SMILES: | CCOc1cccc(c1)B(O)O | | InChi: | InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3-ethoxyphenyl)boronic acid |
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 | | W5H | | Name: | (1-methyl-1H-pyrrol-2-yl)acetic acid | | Formula: | C7 H9 N O2 | | SMILES: | OC(=O)Cc1cccn1C | | InChi: | InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10) | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (1-methyl-1H-pyrrol-2-yl)acetic acid |
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 | | W5L | | Name: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol | | Formula: | C10 H14 Cl N O2 | | SMILES: | Cc1cc(OCC(O)CN)ccc1Cl | | InChi: | InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol |
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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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 | | VPE | | Name: | (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid | | Formula: | C9 H12 N2 O3 S | | SMILES: | O=C(CC(C)CC(=O)O)Nc1nccs1 | | InChi: | InChI=1S/C9H12N2O3S/c1-6(5-8(13)14)4-7(12)11-9-10-2-3-15-9/h2-3,6H,4-5H2,1H3,(H,13,14)(H,10,11,12)/t6-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid |
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 | | W5Q | | Name: | N~2~-[(1S)-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-/m0/s1 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide |
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