compound 31 [PMID: 24809814]

Ligand id: 8465

Name: compound 31 [PMID: 24809814]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 68.94
Molecular weight 454.17
XLogP 6.81
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
Database Links
ChEMBL Ligand CHEMBL3290331
GtoPdb PubChem SID 252166675
PubChem CID 73729049
RCSB PDB Ligand 30J
Search Google for chemical match using the InChIKey XUZUIICAPXZZDU-GOSISDBHSA-N
Search Google for chemicals with the same backbone XUZUIICAPXZZDU
Search UniChem for chemical match using the InChIKey XUZUIICAPXZZDU-GOSISDBHSA-N
Search UniChem for chemicals with the same backbone XUZUIICAPXZZDU