 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | VPW | | Name: | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine | | Formula: | C11 H12 Cl N | | SMILES: | Clc1ccc(cc1)C1=CCNCC1 | | InChi: | InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine |
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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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