| 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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| 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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| 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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| 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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| 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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| 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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| VAV | Name: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron | Formula: | C5 H5 B F3 N2 O2 | SMILES: | Cn1nc(cc1[B](O)=O)C(F)(F)F | InChi: | InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3 | Definition date: | 2022-08-29 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron |
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| UUQ | Name: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile | Formula: | C23 H14 F3 N3 O3 | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N | InChi: | InChI=1S/C23H14F3N3O3/c1-13-6-2-5-9-18(13)32-19-10-17(15-8-4-3-7-14(15)16(19)12-27)29-21(30)11-20(23(24,25)26)28-22(29)31/h2-11H,1H3,(H,28,31) | Synonyms: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile | Definition date: | 2021-03-21 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile |
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| VPK | Name: | ethyl pyridin-3-ylcarbamate | Formula: | C8 H10 N2 O2 | SMILES: | O=C(OCC)Nc1cccnc1 | InChi: | InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | ethyl pyridin-3-ylcarbamate |
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| W5U | Name: | N-[2-(dimethylamino)ethyl]-4-fluorobenzamide | Formula: | C11 H15 F N2 O | SMILES: | O=C(NCCN(C)C)c1ccc(F)cc1 | InChi: | InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/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-[2-(dimethylamino)ethyl]-4-fluorobenzamide |
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| W5Z | Name: | 3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide | Formula: | C12 H12 F N3 O | SMILES: | Fc1cccc(c1)C(=O)NCCn1ccnc1 | InChi: | InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17) | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide |
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| W63 | Name: | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide | Formula: | C11 H14 Cl N O2 S | SMILES: | Clc1cc(NC(=O)C(C)SCCO)ccc1 | InChi: | InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide |
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| UUZ | Name: | 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione | Formula: | C22 H14 Cl F3 N2 O3 | SMILES: | Cc1ccccc1Oc2cc(N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccc4c2Cl | InChi: | InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-10H,11H2,1H3 | Definition date: | 2021-03-22 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione |
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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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| 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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| 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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