PNU-282987   

GtoPdb Ligand ID: 3988

Synonyms: PNU 282987
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 32.34
Molecular weight 264.1
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccc(cc1)Cl)NC1CN2CCC1CC2
Isomeric SMILES O=C(c1ccc(cc1)Cl)N[C@H]1CN2CCC1CC2
InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
InChI Key WECKJONDRAUFDD-ZDUSSCGKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide
Synonyms
PNU 282987
Database Links
CAS Registry No. 711085-63-1 (source: Scifinder)
ChEMBL Ligand CHEMBL177611
GtoPdb PubChem SID 178100814
PubChem CID 9795278
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PNU 282987
Cat. No. 2303