 | | A1AU1 | | Name: | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide | | Formula: | C15 H9 Cl2 F N2 O3 S | | SMILES: | Clc1cc(c(O)c(Cl)c1)S(=O)(=O)Nc1ccc(F)c2cnccc21 | | InChi: | InChI=1S/C15H9Cl2FN2O3S/c16-8-5-11(17)15(21)14(6-8)24(22,23)20-13-2-1-12(18)10-7-19-4-3-9(10)13/h1-7,20-21H | | Definition date: | 2024-06-12 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide |
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 | | A1L16 | | Name: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol | | Formula: | C15 H15 N O | | SMILES: | CC(C)[C]1(O)c2ccccc2c3ncccc13 | | InChi: | InChI=1S/C15H15NO/c1-10(2)15(17)12-7-4-3-6-11(12)14-13(15)8-5-9-16-14/h3-10,17H,1-2H3/t15-/m1/s1 | | Definition date: | 2024-05-29 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol |
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 | | WZF | | Name: | 7-(2-phenylethoxy)quinazolin-2-amine | | Formula: | C16 H15 N3 O | | SMILES: | Nc1ncc2ccc(OCCc3ccccc3)cc2n1 | | InChi: | InChI=1S/C16H15N3O/c17-16-18-11-13-6-7-14(10-15(13)19-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,17,18,19) | | Definition date: | 2023-05-24 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 7-(2-phenylethoxy)quinazolin-2-amine |
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 | | W4E | | Name: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline | | Formula: | C30 H29 N O3 | | SMILES: | COc1cc2CCN(C)[CH](Cc3ccc(Oc4ccccc4)cc3)c2cc1Oc5ccccc5 | | InChi: | InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3/t28-/m0/s1 | | Synonyms: | SG-094 | | Definition date: | 2023-04-26 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (1~{S})-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1~{H}-isoquinoline |
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 | | X8K | | Name: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile | | Formula: | C25 H20 N4 O2 | | SMILES: | O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N | | InChi: | InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2 | | Definition date: | 2023-06-06 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile |
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 | | D0D | | Name: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide | | Formula: | C22 H20 Cl N5 O2 S | | SMILES: | Clc1ncc(cc1NS(C)(=O)=O)c1cc2c(NC(C)c3ccccc3)ncnc2cc1 | | InChi: | InChI=1S/C22H20ClN5O2S/c1-14(15-6-4-3-5-7-15)27-22-18-10-16(8-9-19(18)25-13-26-22)17-11-20(21(23)24-12-17)28-31(2,29)30/h3-14,28H,1-2H3,(H,25,26,27)/t14-/m1/s1 | | Definition date: | 2023-04-25 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide |
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 | | A1ALB | | Name: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline | | Formula: | C12 H9 N3 O | | SMILES: | Nc1cccc(c1)c1nc2ncccc2o1 | | InChi: | InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2 | | Definition date: | 2024-04-08 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline |
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 | | A1D46 | | Name: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one | | Formula: | C21 H20 N4 O2 | | SMILES: | O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4 | | InChi: | InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26) | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one |
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 | | A1D47 | | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one | | Formula: | C21 H19 N3 O3 | | SMILES: | O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4 | | InChi: | InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10- | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one |
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 | | A1D48 | | Name: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one | | Formula: | C16 H11 N3 O2 | | SMILES: | Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12 | | InChi: | InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6- | | Synonyms: | (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one | | Definition date: | 2023-12-21 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one |
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 | | A1AHU | | Name: | 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol | | Formula: | C27 H25 N O5 S | | SMILES: | O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCCc2ccccc21 | | InChi: | InChI=1S/C27H25NO5S/c29-20-11-7-18(8-12-20)25-23-16-24(27(33-23)26(25)19-9-13-21(30)14-10-19)34(31,32)28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23-24,27,29-30H,3,5,15-16H2/t23-,24+,27+/m0/s1 | | Definition date: | 2024-03-11 | | Last modified: | 2024-06-07 | | Release date: | 2024-06-12 | | Identifier: | 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol |
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 | | ZW4 | | Name: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride | | Formula: | C23 H27 Cl2 F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CC(CN(C)C)C2)cc1Cl | | InChi: | InChI=1S/C23H27Cl2FN4O3S/c1-28(2)12-16-13-30(14-16)34(26,32)27-18-10-19(24)22(20(25)11-18)23(31)29-8-9-33-21(15-29)17-6-4-3-5-7-17/h3-7,10-11,16,21H,8-9,12-15H2,1-2H3/t21-,34-/m1/s1 | | Definition date: | 2023-04-07 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride |
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 | | FIE | | Name: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride | | Formula: | C24 H22 Cl F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2Cc3cccnc3C2)cc1Cl | | InChi: | InChI=1S/C24H22ClFN4O3S/c25-21-13-19(28-34(26,32)30-14-18-7-4-10-27-22(18)15-30)8-9-20(21)24(31)29-11-12-33-23(16-29)17-5-2-1-3-6-17/h1-10,13,23H,11-12,14-16H2/t23-,34-/m1/s1 | | Definition date: | 2023-04-07 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride |
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 | | A1D7A | | Name: | 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one | | Formula: | C15 H11 Cl N4 O2 S | | SMILES: | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccsc34 | | InChi: | InChI=1S/C15H11ClN4O2S/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21) | | Definition date: | 2024-03-29 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one |
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 | | A1ADU | | Name: | (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride | | Formula: | C23 H27 Cl2 F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl | | InChi: | InChI=1S/C23H27Cl2FN4O3S/c1-28(2)18-8-9-30(14-18)34(26,32)27-17-12-19(24)22(20(25)13-17)23(31)29-10-11-33-21(15-29)16-6-4-3-5-7-16/h3-7,12-13,18,21H,8-11,14-15H2,1-2H3/t18-,21-,34-/m1/s1 | | Definition date: | 2024-01-29 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride |
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 | | A1ADV | | Name: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride | | Formula: | C23 H28 Cl F N4 O3 S | | SMILES: | O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl | | InChi: | InChI=1S/C23H28ClFN4O3S/c1-27(2)19-10-11-29(15-19)33(25,31)26-18-8-9-20(21(24)14-18)23(30)28-12-13-32-22(16-28)17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/t19-,22-,33-/m1/s1 | | Definition date: | 2024-01-29 | | Last modified: | 2024-05-31 | | Release date: | 2024-06-05 | | Identifier: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride |
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 | | V7U | | Name: | 2,4-dinitroaniline | | Formula: | C6 H5 N3 O4 | | SMILES: | Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O | | InChi: | InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2 | | Definition date: | 2023-07-10 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 2,4-dinitroaniline |
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 | | KCC | | Name: | N-methylquinoxalin-2-amine | | Formula: | C9 H9 N3 | | SMILES: | CNc1cnc2ccccc2n1 | | InChi: | InChI=1S/C9H9N3/c1-10-9-6-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,10,12) | | Definition date: | 2023-08-10 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | N-methylquinoxalin-2-amine |
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 | | A1AQJ | | Name: | (3-hydroxyphenyl)(morpholin-4-yl)methanone | | Formula: | C11 H13 N O3 | | SMILES: | O=C(c1cccc(O)c1)N1CCOCC1 | | InChi: | InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (3-hydroxyphenyl)(morpholin-4-yl)methanone |
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 | | A1ARP | | Name: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | | Formula: | C27 H34 N6 O3 S | | SMILES: | Cc1ncsc1c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(n2cc(nn2)C2CC2)C(C)(C)C)cc1 | | InChi: | InChI=1S/C27H34N6O3S/c1-16-23(37-15-29-16)19-7-5-17(6-8-19)12-28-25(35)22-11-20(34)13-32(22)26(36)24(27(2,3)4)33-14-21(30-31-33)18-9-10-18/h5-8,14-15,18,20,22,24,34H,9-13H2,1-4H3,(H,28,35)/t20-,22+,24-/m1/s1 | | Definition date: | 2024-05-13 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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 | | XHK | | Name: | 6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one | | Formula: | C13 H15 Cl N4 O | | SMILES: | ClC1=C(N=CN(C)C1=O)Nc1ccc(CCN)cc1 | | InChi: | InChI=1S/C13H15ClN4O/c1-18-8-16-12(11(14)13(18)19)17-10-4-2-9(3-5-10)6-7-15/h2-5,8,17H,6-7,15H2,1H3 | | Definition date: | 2022-11-17 | | Last modified: | 2024-05-17 | | Release date: | 2024-05-22 | | Identifier: | 6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one |
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 | | WV2 | | Name: | mitapivat | | Formula: | C24 H26 N4 O3 S | | SMILES: | O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21 | | InChi: | InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2 | | Synonyms: | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide | | Definition date: | 2023-05-19 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide |
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 | | WXC | | Name: | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one | | Formula: | C8 H9 N3 O | | SMILES: | Nc1ncc2C(=O)CCCc2n1 | | InChi: | InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11) | | Definition date: | 2023-05-22 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one |
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 | | W6E | | Name: | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine | | Formula: | C10 H8 N6 | | SMILES: | Nc1ncc2ccc(cc2n1)c3[nH]nnc3 | | InChi: | InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16) | | Definition date: | 2023-05-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine |
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 | | W6T | | Name: | quinazolin-2-amine | | Formula: | C8 H7 N3 | | SMILES: | Nc1ncc2ccccc2n1 | | InChi: | InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11) | | Definition date: | 2023-05-09 | | Last modified: | 2024-05-10 | | Release date: | 2024-05-15 | | Identifier: | quinazolin-2-amine |
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