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SummaryGeometryRelated PDB entries

A1ETP

Summary
Name:3-bromanyl-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]-9~{H}-carbazole
Formula:C24 H23 Br N2 O
Formal charge:0
Formula weight:435.356 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-bromanyl-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]-9~{H}-carbazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H23BrN2O/c25-19-10-11-21-20(14-19)24-22(26-21)4-3-5-23(24)28-16-18-8-6-17(7-9-18)15-27-12-1-2-13-27/h3-11,14,26H,1-2,12-13,15-16H2
InChIKeyInChI1.06MPZPFXCZCBKVNS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1ccc2[nH]c3cccc(OCc4ccc(CN5CCCC5)cc4)c3c2c1
SMILESCACTVS3.385Brc1ccc2[nH]c3cccc(OCc4ccc(CN5CCCC5)cc4)c3c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(c(c1)OCc3ccc(cc3)CN4CCCC4)c5cc(ccc5[nH]2)Br
SMILESOpenEye OEToolkits2.0.7c1cc2c(c(c1)OCc3ccc(cc3)CN4CCCC4)c5cc(ccc5[nH]2)Br

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PDB entries from 2026-07-22

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