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SummaryGeometryRelated PDB entries

7IO

Summary
Name:6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine
Formula:C26 H22 N4 O
Formal charge:0
Formula weight:406.479 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2
InChIKeyInChI1.06FFLJVBPCONQSQW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CN(CCN1)c2ccc(cc2)c3cnc4c(occ4c5ccnc6ccccc56)c3
SMILESCACTVS3.385C1CN(CCN1)c2ccc(cc2)c3cnc4c(occ4c5ccnc6ccccc56)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c(ccn2)c3coc4c3ncc(c4)c5ccc(cc5)N6CCNCC6
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(ccn2)c3coc4c3ncc(c4)c5ccc(cc5)N6CCNCC6

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PDB entries from 2024-07-17

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