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4VE

Summary
Name:N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
Formula:C24 H20 F N5 O2
Formal charge:0
Formula weight:429.446 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
OpenEye OEToolkits1.9.2N-[5-[(1S)-1-[(5-fluoranyl-1,3-benzoxazol-2-yl)amino]ethyl]-2-methyl-phenyl]imidazo[1,2-a]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(Nc1oc2c(n1)cc(cc2)F)c5ccc(C)c(NC(=O)c4n3c(cccc3)nc4)c5
InChIInChI1.03InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1
InChIKeyInChI1.03YLTBELFOTTYXRF-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385C[C@H](Nc1oc2ccc(F)cc2n1)c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3
SMILESCACTVS3.385C[CH](Nc1oc2ccc(F)cc2n1)c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F
SMILESOpenEye OEToolkits1.9.2Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)C(C)Nc4nc5cc(ccc5o4)F

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PDB entries from 2024-07-17

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