compound 11d [DOI: 10.1039/c0md00194e]

Ligand id: 8197

Name: compound 11d [DOI: 10.1039/c0md00194e]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 105.7
Molecular weight 423.18
XLogP 2.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-N-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL3221815
PubChem CID 90668081
Search Google for chemical match using the InChIKey YHIPVWFQESXDIE-KRWDZBQOSA-N
Search Google for chemicals with the same backbone YHIPVWFQESXDIE
Search UniChem for chemical match using the InChIKey YHIPVWFQESXDIE-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone YHIPVWFQESXDIE
Comments
Compound 11d is an analogue assessed in a medicinal chemistry study to identify novel inhibitors of Rho kinase 2 (ROCK2) [1].