 | | W5X | | Name: | PF-3463275 | | Formula: | C19 H22 Cl F N4 O | | SMILES: | CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4 | | InChi: | InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15- | | Synonyms: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide | | Definition date: | 2023-09-20 | | Last modified: | 2024-03-29 | | Release date: | 2024-04-03 | | Identifier: | ~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide |
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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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 | | 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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 | | WFZ | | Name: | 2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid | | Formula: | C16 H12 N4 O4 S2 | | SMILES: | COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C | | InChi: | InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22) | | Definition date: | 2023-10-03 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid |
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 | | WGB | | Name: | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propanoic acid | | Formula: | C10 H13 N2 O4 | | SMILES: | CN[CH](Cc1ccc(cc1)[N-](O)=O)C(O)=O | | InChi: | InChI=1S/C10H13N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)(H,15,16)/q-1/t9-/m0/s1 | | Definition date: | 2023-10-03 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)azanuidyl]phenyl]propanoic acid |
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 | | WVU | | Name: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C1CN(CCN1)C(=O)OCc2ccccc2 | | InChi: | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate |
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 | | WVZ | | Name: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one | | Formula: | C15 H13 N O | | SMILES: | O=C1Cc2ccccc2[CH](N1)c3ccccc3 | | InChi: | InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)/t15-/m0/s1 | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one |
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 | | WWR | | Name: | 3-(phenylmethyl)-1~{H}-imidazol-2-one | | Formula: | C10 H10 N2 O | | SMILES: | O=C1NC=CN1Cc2ccccc2 | | InChi: | InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13) | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 3-(phenylmethyl)-1~{H}-imidazol-2-one |
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 | | SKU | | Name: | 3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid | | Formula: | C18 H14 Cl N O7 S3 | | SMILES: | COC(=O)c1sc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C18H14ClNO7S3/c1-27-18(21)17-15(10-16(28-17)11-5-7-12(19)8-6-11)20-29(22,23)13-3-2-4-14(9-13)30(24,25)26/h2-10,20H,1H3,(H,24,25,26) | | Definition date: | 2023-04-13 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid |
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 | | WXH | | Name: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide | | Formula: | C19 H17 F3 N4 O S | | SMILES: | FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1 | | InChi: | InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27) | | Definition date: | 2023-05-22 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide |
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 | | WZ9 | | Name: | 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one | | Formula: | C14 H13 N3 O | | SMILES: | Nc1cccc2N(Cc3ccccc3)C(=O)Nc12 | | InChi: | InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one |
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 | | WZL | | Name: | 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one | | Formula: | C14 H11 Br N2 O | | SMILES: | Brc1cccc2N(Cc3ccccc3)C(=O)Nc12 | | InChi: | InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one |
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 | | WZR | | Name: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one | | Formula: | C15 H13 N O2 | | SMILES: | Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3 | | InChi: | InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one |
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 | | WZX | | Name: | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | | Formula: | C12 H14 N2 O3 | | SMILES: | CCOC(=O)CN1CC(=O)Nc2ccccc12 | | InChi: | InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate |
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 | | X0H | | Name: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | | Formula: | C12 H11 N O3 | | SMILES: | COC(=O)CC1=CC(=O)Nc2ccccc12 | | InChi: | InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
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 | | X0L | | Name: | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione | | Formula: | C16 H14 N2 O2 | | SMILES: | Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1 | | InChi: | InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione |
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 | | SRF | | Name: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol | | Formula: | C27 H42 F2 O2 | | SMILES: | C[CH](CCC(F)(F)C(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C | | InChi: | InChI=1S/C27H42F2O2/c1-18-8-11-22(30)17-21(18)10-9-20-7-6-15-26(5)23(12-13-24(20)26)19(2)14-16-27(28,29)25(3,4)31/h9-10,19,22-24,30-31H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23-,24+,26-/m1/s1 | | Definition date: | 2023-04-13 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol |
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 | | SV0 | | Name: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol | | Formula: | C27 H43 F O2 | | SMILES: | C[CH](C[CH](F)CC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C | | InChi: | InChI=1S/C27H43FO2/c1-18-8-11-23(29)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-22(28)17-26(3,4)30/h9-10,19,22-25,29-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23+,24-,25+,27-/m1/s1 | | Definition date: | 2023-04-13 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol |
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 | | SXP | | Name: | 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid | | Formula: | C25 H21 Cl3 F2 N6 O6 | | SMILES: | Cc1nn(c(n1)[CH]2O[CH](CO)[CH](O)[CH]([CH]2OCC(O)=O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)c5cc(Cl)ccc5Cl | | InChi: | InChI=1S/C25H21Cl3F2N6O6/c1-10-31-25(36(33-10)17-6-12(26)2-3-13(17)27)24-23(41-9-19(38)39)21(22(40)18(8-37)42-24)35-7-16(32-34-35)11-4-14(29)20(28)15(30)5-11/h2-7,18,21-24,37,40H,8-9H2,1H3,(H,38,39)/t18-,21+,22+,23-,24-/m1/s1 | | Definition date: | 2023-04-14 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid |
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 | | XFZ | | Name: | Bis-1,3-phenyl guanylhydrazon | | Formula: | C10 H14 N8 | | SMILES: | NC(N)=NN=Cc1cccc(C=NN=C(N)N)c1 | | InChi: | InChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+ | | Synonyms: | 2-[(E)-[3-[(E)-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine | | Definition date: | 2023-11-01 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[(~{E})-[3-[(~{E})-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine |
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 | | XVC | | Name: | 6-azido-6-deoxy-alpha-D-glucopyranose | | Formula: | C6 H11 N3 O5 | | SMILES: | OC1C(O)C(CN=[N+]=[N-])OC(O)C1O | | InChi: | InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1 | | Definition date: | 2023-11-13 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 6-azido-6-deoxy-alpha-D-glucopyranose |
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 | | XVI | | Name: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide | | Formula: | C23 H21 F3 N4 O3 | | SMILES: | COc1cc(cc(OC(F)F)c1C(=O)N[CH]2C[CH]2F)c3cnn4cc(ccc34)C(C)(C)C#N | | InChi: | InChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide |
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 | | XW3 | | Name: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one | | Formula: | C24 H22 Cl F N6 O3 | | SMILES: | CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5ncccc5F | | InChi: | InChI=1S/C24H22ClFN6O3/c1-28-24-30-9-14-7-17(16-5-4-13(8-18(16)25)21-19(26)3-2-6-29-21)23(33)32(22(14)31-24)10-20-34-11-15(27)12-35-20/h2-9,15,20H,10-12,27H2,1H3,(H,28,30,31)/t15-,20- | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
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 | | XWA | | Name: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea | | Formula: | C32 H37 N7 O3 | | SMILES: | COc1ccc(N(C(=O)Nc2c(C)cccc2C)c3cc(Nc4ccc(cc4)N5CCN(C)CC5)ncn3)c(OC)c1 | | InChi: | InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea |
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