phencyclidine   

GtoPdb Ligand ID: 4282

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 3.24
Molecular weight 243.2
XLogP 4.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C1CCC(CC1)(N1CCCCC1)c1ccccc1
Isomeric SMILES C1CCC(CC1)(N1CCCCC1)c1ccccc1
InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
InChI Key JTJMJGYZQZDUJJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-(1-phenylcyclohexyl)piperidine
International Nonproprietary Names
INN number INN
1058 phencyclidine
Database Links
CAS Registry No. 77-10-1 (source: Scifinder)
ChEMBL Ligand CHEMBL275528
DrugBank Ligand DB03575
DrugCentral Ligand 2121
GtoPdb PubChem SID 178101099
PubChem CID 6468
RCSB PDB Ligand 1PC
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Wikipedia Phencyclidine