 | | W3V | | Name: | 1-carbamoylpiperidine-4-carboxylic acid | | Formula: | C7 H12 N2 O3 | | SMILES: | N1(CCC(CC1)C(O)=O)C(N)=O | | InChi: | InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11) | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-carbamoylpiperidine-4-carboxylic acid |
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 | | W3Y | | Name: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione | | Formula: | C10 H9 Cl N2 O2 | | SMILES: | N2C(N(c1ccc(cc1)Cl)C(C2=O)C)=O | | InChi: | InChI=1S/C10H9ClN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)/t6-/m0/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione |
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 | | W44 | | Name: | (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol | | Formula: | C15 H18 N2 O | | SMILES: | N3C4Cc2c1c(cccc1)n(c2C(C(C3)O)C4)C | | InChi: | InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14+/m1/s1 | | Definition date: | 2020-09-24 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol |
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 | | W9D | | Name: | 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one | | Formula: | C24 H22 N6 O4 | | SMILES: | c1cc(cc2c1C(OC2(C)C)=O)Nc4ncc(c3ocnn3)c(n4)NC(CO)c5ccccc5 | | InChi: | InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1 | | Definition date: | 2020-10-01 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one |
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 | | WPS | | Name: | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile | | Formula: | C5 H6 N4 | | SMILES: | n1nc(c(C#N)c1N)C | | InChi: | InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile |
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 | | WPY | | Name: | N-(1,3-thiazol-2-yl)acetamide | | Formula: | C5 H6 N2 O S | | SMILES: | n1c(NC(=O)C)scc1 | | InChi: | InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(1,3-thiazol-2-yl)acetamide |
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 | | WQ1 | | Name: | (4-methylpyridin-3-yl)methanol | | Formula: | C7 H9 N O | | SMILES: | n1cc(CO)c(cc1)C | | InChi: | InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-4,9H,5H2,1H3 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (4-methylpyridin-3-yl)methanol |
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 | | WQ4 | | Name: | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile | | Formula: | C5 H5 N3 O | | SMILES: | N#Cc1c(oc(n1)C)N | | InChi: | InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile |
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 | | WQ7 | | Name: | 1-(2-aminoethyl)pyridin-2(1H)-one | | Formula: | C7 H10 N2 O | | SMILES: | NCCN1C(C=CC=C1)=O | | InChi: | InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1-(2-aminoethyl)pyridin-2(1H)-one |
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 | | WQG | | Name: | quinazolin-4(3H)-one | | Formula: | C8 H6 N2 O | | SMILES: | N2C=Nc1c(cccc1)C2=O | | InChi: | InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | quinazolin-4(3H)-one |
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 | | WQM | | Name: | (3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide | | Formula: | C7 H8 N2 O2 | | SMILES: | N(C)C(=O)C1C=CC(N=C1)=O | | InChi: | InChI=1S/C7H8N2O2/c1-8-7(11)5-2-3-6(10)9-4-5/h2-5H,1H3,(H,8,11)/t5-/m0/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide |
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 | | WQV | | Name: | N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide | | Formula: | C7 H7 Br N2 O2 | | SMILES: | N1C(=O)C(NC(=O)C)=CC(=C1)Br | | InChi: | InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide |
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 | | WRD | | Name: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol | | Formula: | C10 H13 N O | | SMILES: | NC2CCCc1c(cccc12)O | | InChi: | InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol |
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 | | WRJ | | Name: | 2H-1-benzopyran-3-carboxamide | | Formula: | C10 H9 N O2 | | SMILES: | c1cccc2c1C=C(C(=O)N)CO2 | | InChi: | InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2H-1-benzopyran-3-carboxamide |
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 | | WRV | | Name: | N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea | | Formula: | C11 H15 F N2 O2 | | SMILES: | N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O | | InChi: | InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea |
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 | | WRY | | Name: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide | | Formula: | C12 H11 F N2 O | | SMILES: | N(C)C(=O)c2cc1ccc(F)cc1nc2C | | InChi: | InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide |
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 | | WS4 | | Name: | N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide | | Formula: | C11 H11 N3 O2 | | SMILES: | n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C | | InChi: | InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16) | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide |
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 | | WSJ | | Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide | | Formula: | C12 H15 N3 O3 S | | SMILES: | N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C | | InChi: | InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide |
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 | | WSM | | Name: | 4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one | | Formula: | C11 H14 N2 O2 | | SMILES: | NCCCN2c1c(cccc1)OCC2=O | | InChi: | InChI=1S/C11H14N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,6-8,12H2 | | Definition date: | 2020-11-04 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one |
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 | | WSY | | Name: | 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid | | Formula: | C7 H11 N3 O2 | | SMILES: | n1(CCC(=O)O)c(C)nc(n1)C | | InChi: | InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12) | | Definition date: | 2020-11-05 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid |
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 | | X2G | | Name: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C21 H15 F2 N3 O7 S | | SMILES: | [C@H](=CC#N)c1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)F | | InChi: | InChI=1S/C21H15F2N3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | X2J | | Name: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C21 H15 Cl F N3 O7 S | | SMILES: | [C@H](C#N)=Cc1cc(cc(c1)Oc2ccc(cc2OCCN3C(NC(=O)C=C3)=O)OS(=O)(=O)F)Cl | | InChi: | InChI=1S/C21H15ClFN3O7S/c22-15-10-14(2-1-6-24)11-17(12-15)32-18-4-3-16(33-34(23,29)30)13-19(18)31-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | X2S | | Name: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C19 H13 Cl F N3 O7 S | | SMILES: | N#Cc3cc(Oc1c(cc(cc1)OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)cc(c3)Cl | | InChi: | InChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-16-2-1-14(31-32(21,27)28)10-17(16)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26) | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | X2V | | Name: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate | | Formula: | C23 H16 F N3 O7 S | | SMILES: | c4(C#N)ccc1c(cccc1Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)OS(F)(=O)=O)c4 | | InChi: | InChI=1S/C23H16FN3O7S/c24-35(30,31)34-17-5-7-20(21(13-17)32-11-10-27-9-8-22(28)26-23(27)29)33-19-3-1-2-16-12-15(14-25)4-6-18(16)19/h1-9,12-13H,10-11H2,(H,26,28,29) | | Definition date: | 2020-11-23 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate |
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 | | XLP | | Name: | 1,3-benzothiazole-6-carboxylic acid | | Formula: | C8 H5 N O2 S | | SMILES: | n1csc2cc(C(O)=O)ccc12 | | InChi: | InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11) | | Definition date: | 2020-12-18 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 1,3-benzothiazole-6-carboxylic acid |
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