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SummaryGeometryRelated PDB entries

80C

Summary
Name:8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline
Formula:C22 H20 Cl F N4 O
Formal charge:0
Formula weight:410.872 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.78-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H20ClFN4O/c1-29-14-2-3-15(18(23)8-14)16-9-17-20(10-19(16)24)26-11-21-22(17)28(12-27-21)13-4-6-25-7-5-13/h2-3,8-13,25H,4-7H2,1H3
InChIKeyInChI1.06CBDCNDJVBAISJJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(c(Cl)c1)c2cc3c(cc2F)ncc4ncn(C5CCNCC5)c34
SMILESCACTVS3.385COc1ccc(c(Cl)c1)c2cc3c(cc2F)ncc4ncn(C5CCNCC5)c34
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5
SMILESOpenEye OEToolkits2.0.7COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5

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건을2024-07-10부터공개중

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