 | | ZUS | | Name: | 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide | | Formula: | C18 H16 N2 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1 | | InChi: | InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24) | | Definition date: | 2023-04-04 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide |
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 | | XB5 | | Name: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide | | Formula: | C29 H36 N6 O2 | | SMILES: | CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36) | | Definition date: | 2023-10-26 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide |
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 | | XCE | | Name: | ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | Formula: | C23 H22 Cl2 N6 O2 | | SMILES: | Clc1cc([NH]c1Cl)C(=O)NC(CCc1ccccc1)C(=O)NC(C)c1cn2cccnc2n1 | | InChi: | InChI=1S/C23H22Cl2N6O2/c1-14(19-13-31-11-5-10-26-23(31)30-19)27-21(32)17(9-8-15-6-3-2-4-7-15)29-22(33)18-12-16(24)20(25)28-18/h2-7,10-14,17,28H,8-9H2,1H3,(H,27,32)(H,29,33)/t14-,17-/m0/s1 | | Definition date: | 2023-10-30 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 4,5-dichloro-N-[(2S)-1-({(1S)-1-[(4S)-imidazo[1,2-a]pyrimidin-2-yl]ethyl}amino)-1-oxo-4-phenylbutan-2-yl]-1H-pyrrole-2-carboxamide |
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 | | XCW | | Name: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide | | Formula: | C23 H26 Cl2 N4 O4 | | SMILES: | Clc1cc([NH]c1Cl)C(=O)NC(C1CCCCC1)C(=O)NC1COc2ccccc2N(C)C1=O | | InChi: | InChI=1S/C23H26Cl2N4O4/c1-29-17-9-5-6-10-18(17)33-12-16(23(29)32)27-22(31)19(13-7-3-2-4-8-13)28-21(30)15-11-14(24)20(25)26-15/h5-6,9-11,13,16,19,26H,2-4,7-8,12H2,1H3,(H,27,31)(H,28,30)/t16-,19-/m0/s1 | | Definition date: | 2023-10-30 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide |
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 | | WY0 | | Name: | (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione | | Formula: | C20 H19 N3 O4 | | SMILES: | CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2 | | InChi: | InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (5~{R})-5-ethyl-3-(6-spiro[2~{H}-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione |
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 | | WY9 | | Name: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione | | Formula: | C18 H19 N3 O4 | | SMILES: | CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2 | | InChi: | InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (5~{R})-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione |
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 | | XWO | | Name: | N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C28 H34 N6 O2 | | SMILES: | Cn1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C28H34N6O2/c1-19-7-8-26(36-10-9-32(3)4)14-27(19)28(35)31-20(2)21-11-22(24-15-29-33(5)17-24)13-23(12-21)25-16-30-34(6)18-25/h7-8,11-18,20H,9-10H2,1-6H3,(H,31,35) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | YEE | | Name: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide | | Formula: | C27 H31 F N4 O2 | | SMILES: | COc1cc(cc(F)c1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCN(CC4)C(C)C | | InChi: | InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33) | | Definition date: | 2023-12-03 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide |
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 | | XXW | | Name: | N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C29 H34 F2 N6 O3 | | SMILES: | FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(COC)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C29H34F2N6O3/c1-19-6-7-26(40-9-8-35(3)4)13-27(19)28(38)34-20(2)21-10-22(24-14-32-36(16-24)18-39-5)12-23(11-21)25-15-33-37(17-25)29(30)31/h6-7,10-17,20,29H,8-9,18H2,1-5H3,(H,34,38) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-[(1R)-1-{(3M,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-[1-(methoxymethyl)-1H-pyrazol-4-yl]phenyl}ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | XYI | | Name: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide | | Formula: | C30 H38 N6 O2 | | SMILES: | CC(C)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C30H38N6O2/c1-20(2)36-19-27(17-32-36)25-13-23(12-24(14-25)26-16-31-35(7)18-26)22(4)33-30(37)29-15-28(9-8-21(29)3)38-11-10-34(5)6/h8-9,12-20,22H,10-11H2,1-7H3,(H,33,37) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide |
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 | | XYR | | Name: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide | | Formula: | C28 H32 F2 N6 O2 | | SMILES: | FC(F)n1cc(cn1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C | | InChi: | InChI=1S/C28H32F2N6O2/c1-18-6-7-25(38-9-8-34(3)4)13-26(18)27(37)33-19(2)20-10-21(23-14-31-35(5)16-23)12-22(11-20)24-15-32-36(17-24)28(29)30/h6-7,10-17,19,28H,8-9H2,1-5H3,(H,33,37) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | N-{(1R)-1-[(3P,5M)-3-[1-(difluoromethyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
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 | | WKE | | Name: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide | | Formula: | C11 H20 N2 O7 | | SMILES: | C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO | | InChi: | InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide |
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 | | A1H2K | | Name: | 7.10 monoacylglycerol (S-form) | | Formula: | C20 H38 O4 | | SMILES: | CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO | | InChi: | InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1 | | Synonyms: | [(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate | | Definition date: | 2024-01-19 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate |
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 | | A1AEQ | | Name: | (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal | | Formula: | C16 H17 N O S | | SMILES: | C/C(=CC=O)c1ccc(s1)c1ccc(cc1)N(C)C | | InChi: | InChI=1S/C16H17NOS/c1-12(10-11-18)15-8-9-16(19-15)13-4-6-14(7-5-13)17(2)3/h4-11H,1-3H3/b12-10+ | | Definition date: | 2024-02-13 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal |
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 | | MKX | | Name: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C15 H19 N6 O10 P | | SMILES: | C[CH](O)[CH]1NC(=O)N(C1=O)c2ncnc3n(cnc23)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O | | InChi: | InChI=1S/C15H19N6O10P/c1-5(22)7-13(25)21(15(26)19-7)12-8-11(16-3-17-12)20(4-18-8)14-10(24)9(23)6(31-14)2-30-32(27,28)29/h3-7,9-10,14,22-24H,2H2,1H3,(H,19,26)(H2,27,28,29)/t5-,6-,7+,9-,10-,14-/m1/s1 | | Synonyms: | cyclic N6-threonylcarbamoyladenosine 5'-monophosphate | | Definition date: | 2022-12-26 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate |
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 | | OBX | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C14 H27 N7 O7 P | | SMILES: | NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | | InChi: | InChI=1S/C14H26N7O7P/c15-9-3-6-21(14(20-9)19-5-2-1-4-18-13(16)17)12-11(23)10(22)8(28-12)7-27-29(24,25)26/h3,6,8,10-12,22-23H,1-2,4-5,7H2,(H8,15,16,17,18,19,20,24,25,26)/p+1/t8-,10-,11-,12-/m1/s1 | | Synonyms: | agmatidine | | Definition date: | 2023-01-30 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | BYW | | Name: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide | | Formula: | C18 H17 F3 N2 O4 | | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO | | InChi: | InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1 | | Definition date: | 2023-04-24 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide |
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 | | Q2F | | Name: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide | | Formula: | C26 H34 F N5 O6 S | | SMILES: | CCn1cnc2N(C[CH]3CC[CH](CC3)CN[S](=O)(=O)c4ccc(OC5CCOCC5)c(F)c4)C(=O)NC(=O)c12 | | InChi: | InChI=1S/C26H34FN5O6S/c1-2-31-16-28-24-23(31)25(33)30-26(34)32(24)15-18-5-3-17(4-6-18)14-29-39(35,36)20-7-8-22(21(27)13-20)38-19-9-11-37-12-10-19/h7-8,13,16-19,29H,2-6,9-12,14-15H2,1H3,(H,30,33,34)/t17-,18- | | Definition date: | 2022-10-11 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]cyclohexyl]methyl]-3-fluoranyl-4-(oxan-4-yloxy)benzenesulfonamide |
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 | | ILR | | Name: | Spiroimine (+)-4 R | | Formula: | C13 H21 N O2 | | SMILES: | CC1=NCCC[C]12CCCCC23OCCO3 | | InChi: | InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1 | | Synonyms: | (6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene | | Definition date: | 2023-08-01 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | (6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene |
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 | | MA6 | | Name: | 6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE | | Formula: | C12 H18 N5 O7 P | | SMILES: | CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O | | InChi: | InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-03-27 | | Identifier: | N,N-dimethyladenosine 5'-(dihydrogen phosphate) |
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 | | VNO | | Name: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea | | Formula: | C8 H18 N2 O3 S | | SMILES: | CC[S](=O)(=O)CCN(C)C(=O)N(C)C | | InChi: | InChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3 | | Definition date: | 2023-03-20 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea |
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 | | USI | | Name: | ~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine | | Formula: | C20 H19 N5 O | | SMILES: | COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2 | | InChi: | InChI=1S/C20H19N5O/c1-26-16-4-2-3-14(10-16)18-11-19(25-20(21)24-18)23-12-13-5-6-17-15(9-13)7-8-22-17/h2-11,22H,12H2,1H3,(H3,21,23,24,25) | | Definition date: | 2023-06-18 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | ~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine |
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 | | W6F | | Name: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium | | Formula: | C39 H51 N6 O6 S2 | | SMILES: | O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4cc(C)ccc43)SCC2N1 | | InChi: | InChI=1S/C39H50N6O6S2/c1-27-11-12-29-28(13-16-44(2)32(29)23-27)24-37-45(31-7-3-4-8-33(31)53-37)25-36(47)41-15-18-50-20-22-51-21-19-49-17-14-40-35(46)10-6-5-9-34-38-30(26-52-34)42-39(48)43-38/h3-4,7-8,11-13,16,23-24,30,34,38H,5-6,9-10,14-15,17-22,25-26H2,1-2H3,(H3-,40,41,42,43,46,47,48)/p+1/t30-,34-,38?/m0/s1 | | Definition date: | 2023-09-25 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium |
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 | | W8U | | Name: | (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine | | Formula: | C21 H20 Cl N7 O | | SMILES: | Clc1ncccc1Cc1nnc2cc(ccn21)c1nc(ncc1)NC1CCOCC1 | | InChi: | InChI=1S/C21H20ClN7O/c22-20-15(2-1-7-23-20)13-19-28-27-18-12-14(4-9-29(18)19)17-3-8-24-21(26-17)25-16-5-10-30-11-6-16/h1-4,7-9,12,16H,5-6,10-11,13H2,(H,24,25,26) | | Definition date: | 2023-09-27 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine |
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 | | WAL | | Name: | (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine | | Formula: | C19 H22 N8 | | SMILES: | Cn1nccc1Nc1nccc(n1)c1cc2nnc(CC(C)CC)n2cc1 | | InChi: | InChI=1S/C19H22N8/c1-4-13(2)11-17-24-25-18-12-14(7-10-27(17)18)15-5-8-20-19(22-15)23-16-6-9-21-26(16)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22,23)/t13-/m0/s1 | | Definition date: | 2023-09-28 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine |
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