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SummaryGeometryRelated PDB entries

H7F

Summary
Name:[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
Formula:C22 H26 N2 O3 S
Formal charge:0
Formula weight:398.518 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H26N2O3S/c1-26-16-3-4-20-18(10-16)22(28-13-14-5-7-23-8-6-14)19-11-17(27-2)9-15(12-25)21(19)24-20/h3-4,9-11,14,23,25H,5-8,12-13H2,1-2H3
InChIKeyInChI1.03BLHUWQJQGSBTQW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CCNCC4)c2c1
SMILESCACTVS3.385COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CCNCC4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4
SMILESOpenEye OEToolkits2.0.7COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4

247536

PDB entries from 2026-01-14

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