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9LX

Summary
Name:2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol
Formula:C21 H18 F N3 O2
Formal charge:0
Formula weight:363.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol
OpenEye OEToolkits2.0.62-[6-fluoranyl-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(nc1n(cc(cc1)F)c2NCc3ccc(OC)cc3)c4ccccc4O
InChIInChI1.03InChI=1S/C21H18FN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3
InChIKeyInChI1.03QBNMSKFVSPKNSV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CNc2n3cc(F)ccc3nc2c4ccccc4O)cc1
SMILESCACTVS3.385COc1ccc(CNc2n3cc(F)ccc3nc2c4ccccc4O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O

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數據於2024-07-17公開中

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