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T5J

Summary
Name:2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol
Formula:C17 H15 F N2 O
Formal charge:0
Formula weight:282.312 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.62-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methyl-quinolin-5-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H15FN2O/c1-10-6-7-12(9-13(10)18)19-16-8-11(2)17-14(20-16)4-3-5-15(17)21/h3-9,21H,1-2H3,(H,19,20)
InChIKeyInChI1.03YIACXICIQWGRMA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F
SMILESCACTVS3.385Cc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C

223532

PDB entries from 2024-08-07

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