Ro4491533

Ligand id: 6226

Name: Ro4491533

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.35
Molecular weight 423.16
XLogP 7.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(2,6-dimethylpyridin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Synonyms
Ro 4491533 | Ro-4491533
Database Links
CAS Registry No. 579482-31-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1629855
PubChem CID 11158623
Search Google for chemical match using the InChIKey LYTVXCQQTLUEQR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LYTVXCQQTLUEQR
Search UniChem for chemical match using the InChIKey LYTVXCQQTLUEQR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LYTVXCQQTLUEQR
Wikipedia RO4491533