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A1JVT

Summary
Name:6,7-dimethoxy-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
Formula:C26 H27 N5 O2
Formal charge:0
Formula weight:441.525 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76,7-dimethoxy-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C26H27N5O2/c1-32-24-15-21-22(16-25(24)33-2)27-9-8-23(21)30-10-12-31(13-11-30)26-28-17-20(18-29-26)14-19-6-4-3-5-7-19/h3-9,15-18H,10-14H2,1-2H3
InChIKeyInChI1.06YPUNTOXETHOQDC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc2nccc(N3CCN(CC3)c4ncc(Cc5ccccc5)cn4)c2cc1OC
SMILESCACTVS3.385COc1cc2nccc(N3CCN(CC3)c4ncc(Cc5ccccc5)cn4)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc2c(ccnc2cc1OC)N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
SMILESOpenEye OEToolkits2.0.7COc1cc2c(ccnc2cc1OC)N3CCN(CC3)c4ncc(cn4)Cc5ccccc5

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PDB entries from 2026-07-22

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