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A1B58

Summary
Name:(1s,5s)-3-[(2-chlorophenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
Formula:C15 H17 Cl N2 O2
Formal charge:0
Formula weight:292.761 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1s,5s)-3-[(2-chlorophenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
OpenEye OEToolkits3.1.0.03-[2-(2-chlorophenyl)ethanoyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1Cl)N1CC2CC(C2)(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H17ClN2O2/c16-12-4-2-1-3-11(12)5-13(19)18-8-10-6-15(7-10,9-18)14(17)20/h1-4,10H,5-9H2,(H2,17,20)/t10-,15+
InChIKeyInChI1.06HXSIRLGOOQULEB-AVCCJPFPSA-N
SMILES_CANONICALCACTVS3.385NC(=O)C12CC(CN(C1)C(=O)Cc3ccccc3Cl)C2
SMILESCACTVS3.385NC(=O)C12CC(CN(C1)C(=O)Cc3ccccc3Cl)C2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CC3CC(C3)(C2)C(=O)N)Cl
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CC3CC(C3)(C2)C(=O)N)Cl

248636

PDB entries from 2026-02-04

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