SB 612111

Ligand id: 1693

Name: SB 612111

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 23.47
Molecular weight 417.16
XLogP 6.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(7S,9S)-7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol
Synonyms
SB-612111 | SB612111
Database Links
ChEMBL Ligand CHEMBL559569
PubChem CID 10047612
RCSB PDB Ligand DGW
Search Google for chemical match using the InChIKey OHRDCQFCAWLDBP-SBUREZEXSA-N
Search Google for chemicals with the same backbone OHRDCQFCAWLDBP
Search UniChem for chemical match using the InChIKey OHRDCQFCAWLDBP-SBUREZEXSA-N
Search UniChem for chemicals with the same backbone OHRDCQFCAWLDBP
SynPHARM 3979 (in complex with NOP receptor)
82972 (in complex with NOP receptor)
Wikipedia SB-612,111