LY134046

Ligand id: 6631

Name: LY134046

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 12.03
Molecular weight 215.03
XLogP 2.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine
Synonyms
LY 134046 | LY-134046
Database Links
CAS Registry No. 71274-97-0
ChEMBL Ligand CHEMBL38681
PubChem CID 121938
RCSB PDB Ligand LY1
Search Google for chemical match using the InChIKey IADAQXMUWITWNG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IADAQXMUWITWNG
Search UniChem for chemical match using the InChIKey IADAQXMUWITWNG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IADAQXMUWITWNG
SynPHARM 78567 (in complex with Phenylethanolamine N-methyltransferase)