 | | YTV | | Name: | 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | | Formula: | C25 H23 Cl N4 O5 | | SMILES: | CC(C)(O)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C25H23ClN4O5/c1-25(2,34)5-7-35-19-9-15(8-17(26)11-19)20-10-16(21-13-28-24(33)29-22(21)31)14-30(23(20)32)18-4-3-6-27-12-18/h3-4,6,8-14,34H,5,7H2,1-2H3,(H2,28,29,31,33) | | Definition date: | 2021-03-31 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione |
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 | | YU4 | | Name: | 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | | Formula: | C23 H16 Cl F3 N4 O4 | | SMILES: | FC(F)(F)CCOc1cc(cc(Cl)c1)C1=CC(=CN(c2cnccc2)C1=O)C1=CNC(=O)NC1=O | | InChi: | InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34) | | Definition date: | 2021-03-31 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione |
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 | | WZ7 | | Name: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide | | Formula: | C11 H13 N3 O | | SMILES: | c2cnc(NC1CC=CC1)cc2C(=O)N | | InChi: | InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14) | | Definition date: | 2020-11-18 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide |
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 | | QV2 | | Name: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one | | Formula: | C19 H20 N4 O2 | | SMILES: | O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4 | | InChi: | InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23) | | Definition date: | 2020-08-13 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one |
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 | | WZP | | Name: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one | | Formula: | C11 H22 N2 O | | SMILES: | C1CN(C(C(C)C)=O)CCN1C(C)C | | InChi: | InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one |
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 | | WZS | | Name: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one | | Formula: | C15 H22 N2 O | | SMILES: | c2c(CCNC1CCN(C(C)=O)CC1)cccc2 | | InChi: | InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one |
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 | | X0G | | Name: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine | | Formula: | C10 H15 N3 O2 | | SMILES: | C3N(Cc1nc(no1)C2CC2)CCOC3 | | InChi: | InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine |
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 | | X0M | | Name: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide | | Formula: | C11 H14 N2 O | | SMILES: | c2c1CC(CNc1ccc2)NC(C)=O | | InChi: | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide |
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 | | X0S | | Name: | 2-chloro-N-methylbenzene-1-sulfonamide | | Formula: | C7 H8 Cl N O2 S | | SMILES: | c1c(S(NC)(=O)=O)c(Cl)ccc1 | | InChi: | InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-chloro-N-methylbenzene-1-sulfonamide |
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 | | NMR | | Name: | [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron | | Formula: | C6 H4 B Cl2 O2 | | SMILES: | O[B](=O)c1cc(Cl)cc(Cl)c1 | | InChi: | InChI=1S/C6H4BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10H | | Definition date: | 2021-02-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron |
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 | | X1G | | Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide | | Formula: | C13 H17 N O3 | | SMILES: | c1cc(CNC(CC(C)C)=O)cc2c1OCO2 | | InChi: | InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15) | | Definition date: | 2020-11-20 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide |
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 | | X1M | | Name: | 1-(6-methoxypyridin-2-yl)-N-methylmethanamine | | Formula: | C8 H12 N2 O | | SMILES: | c1(nc(OC)ccc1)CNC | | InChi: | InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3 | | Definition date: | 2020-11-20 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 1-(6-methoxypyridin-2-yl)-N-methylmethanamine |
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 | | UJQ | | Name: | 9~{H}-xanthene-9-carboxylic acid | | Formula: | C14 H10 O3 | | SMILES: | OC(=O)C1c2ccccc2Oc3ccccc13 | | InChi: | InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16) | | Definition date: | 2021-02-25 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 9~{H}-xanthene-9-carboxylic acid |
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 | | QXT | | Name: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione | | Formula: | C24 H26 N2 O4 | | SMILES: | CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCOc5cc4C3)c2 | | InChi: | InChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3 | | Definition date: | 2020-08-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione |
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 | | UJZ | | Name: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole | | Formula: | C8 H4 Br F3 N2 | | SMILES: | FC(F)(F)c1cc(Br)c2nc[nH]c2c1 | | InChi: | InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14) | | Definition date: | 2021-02-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole |
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 | | QY8 | | Name: | 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C6 H6 N4 O | | SMILES: | NC1=Nc2[nH]ccc2C(=O)N1 | | InChi: | InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11) | | Synonyms: | 2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one | | Definition date: | 2020-08-20 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
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 | | UKE | | Name: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid | | Formula: | C9 H7 N O4 | | SMILES: | COc1ccc2oc(nc2c1)C(O)=O | | InChi: | InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12) | | Synonyms: | 5-Methoxybenzo[d]oxazole-2-carboxylic acid | | Definition date: | 2021-02-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid |
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 | | QYB | | Name: | 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one | | Formula: | C11 H8 N4 O | | SMILES: | O=C1NC=Nc2n[nH]c(c3ccccc3)c12 | | InChi: | InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16) | | Synonyms: | 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one | | Definition date: | 2020-08-20 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one |
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 | | UKH | | Name: | p-nitrophenylboronic acid | | Formula: | C6 H6 B N O4 | | SMILES: | OB(O)c1ccc(cc1)[N+]([O-])=O | | InChi: | InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H | | Synonyms: | (4-nitrophenyl)boronic acid | | Definition date: | 2021-02-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | (4-nitrophenyl)boronic acid |
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 | | QYE | | Name: | 7-chlorothieno[3,2-c]pyridin-4-amine | | Formula: | C7 H5 Cl N2 S | | SMILES: | Nc1ncc(Cl)c2sccc12 | | InChi: | InChI=1S/C7H5ClN2S/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H,(H2,9,10) | | Synonyms: | 7-chloranylthieno[3,2-c]pyridin-4-amine | | Definition date: | 2020-08-20 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-chloranylthieno[3,2-c]pyridin-4-amine |
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 | | UKK | | Name: | 6-phenoxy-3-pyridinamine | | Formula: | C11 H10 N2 O | | SMILES: | Nc1ccc(Oc2ccccc2)nc1 | | InChi: | InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2 | | Synonyms: | 6-phenoxypyridin-3-amine | | Definition date: | 2021-02-27 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 6-phenoxypyridin-3-amine |
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 | | QYZ | | Name: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one | | Formula: | C14 H11 N O2 | | SMILES: | Cc1oc(cc1)C=C2C(=O)Nc3ccccc23 | | InChi: | InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+ | | Definition date: | 2020-08-21 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one |
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 | | QZ2 | | Name: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid | | Formula: | C8 H8 N4 O2 | | SMILES: | Cn1cc(cn1)c2cc([nH]n2)C(O)=O | | InChi: | InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14) | | Definition date: | 2020-08-21 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid |
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 | | XWJ | | Name: | N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide | | Formula: | C25 H25 N5 O2 | | SMILES: | Cc1c(NC(C)=O)cc(cc1)NC(=O)c4ccc2c(c(nn2C)c3ccc(cc3C)N)c4 | | InChi: | InChI=1S/C25H25N5O2/c1-14-5-8-19(13-22(14)27-16(3)31)28-25(32)17-6-10-23-21(12-17)24(29-30(23)4)20-9-7-18(26)11-15(20)2/h5-13H,26H2,1-4H3,(H,27,31)(H,28,32) | | Definition date: | 2021-01-15 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide |
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 | | XWP | | Name: | N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide | | Formula: | C32 H30 N6 O3 | | SMILES: | CNC(c1ccc(cc1)C(Nc2cc(ccc2C)NC(c5ccc4c(c(c3ccc(cc3C)N)nn4C)c5)=O)=O)=O | | InChi: | InChI=1S/C32H30N6O3/c1-18-5-12-24(17-27(18)36-31(40)21-8-6-20(7-9-21)30(39)34-3)35-32(41)22-10-14-28-26(16-22)29(37-38(28)4)25-13-11-23(33)15-19(25)2/h5-17H,33H2,1-4H3,(H,34,39)(H,35,41)(H,36,40) | | Definition date: | 2021-01-17 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide |
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