arketamine   Click here for help

GtoPdb Ligand ID: 9153

Synonyms: (S) Ketamine
PDB Ligand
Compound class: Synthetic organic
Comment: This is the less active (R) isomer from the approved drug racemate of ketamine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 29.1
Molecular weight 237.09
XLogP 2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC1(CCCCC1=O)c1ccccc1Cl
Isomeric SMILES CN[C@]1(CCCCC1=O)c1ccccc1Cl
InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1
InChI Key YQEZLKZALYSWHR-CYBMUJFWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one
Synonyms Click here for help
(S) Ketamine
Database Links Click here for help
ChEMBL Ligand CHEMBL467505
GtoPdb PubChem SID 315661238
PubChem CID 644025
RCSB PDB Ligand RKE
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Wikipedia Arketamine