RO5488608

Ligand id: 6325

Name: RO5488608

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 104.21
Molecular weight 474.09
XLogP 6
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{3-[7-methyl-2-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenyl}benzene-1-sulfonic acid
Database Links
CAS Registry No. 1337920-46-3 (source: Scifinder)
PubChem CID 73755206
Search Google for chemical match using the InChIKey FQNZBSFUVZKONP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FQNZBSFUVZKONP