AC-7954

Ligand id: 2151

Name: AC-7954

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 29.54
Molecular weight 329.12
XLogP 5.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)isochroman-1-one
Synonyms
AC 7954 | AC7954
Database Links
BindingDB Ligand 50164424
CAS Registry No. 734528-95-1 (source: Scifinder)
ChEMBL Ligand CHEMBL192359
PubChem CID 9797568
Search Google for chemical match using the InChIKey HIVBATDUVFEJFZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HIVBATDUVFEJFZ
Search UniChem for chemical match using the InChIKey HIVBATDUVFEJFZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HIVBATDUVFEJFZ