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SummaryGeometryRelated PDB entries

VLW

Summary
Name:5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
Formula:C26 H30 N4 O
Formal charge:0
Formula weight:414.543 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C26H30N4O/c1-28-13-15-29(16-14-28)21-5-8-23-19(17-21)18-24(30-12-11-27-25(23)30)26(9-10-26)20-3-6-22(31-2)7-4-20/h3-8,17-18H,9-16H2,1-2H3
InChIKeyInChI1.06PAHRGUYMKQCNRV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6
SMILESCACTVS3.385COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC
SMILESOpenEye OEToolkits2.0.7CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC

221716

PDB entries from 2024-06-26

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