compound 13r [PMID: 23639540]

Ligand id: 8144

Name: compound 13r [PMID: 23639540]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 49.56
Molecular weight 420.21
XLogP 4.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Database Links
ChEMBL Ligand CHEMBL2385596
GtoPdb PubChem SID 249565824
PubChem CID 60182364
Search Google for chemical match using the InChIKey XBGWAKUQSRNWMA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XBGWAKUQSRNWMA
Search UniChem for chemical match using the InChIKey XBGWAKUQSRNWMA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XBGWAKUQSRNWMA
Comments
Compound 13r is one of the analogues assessed in a study to identify selective inhibitors of bone morphogenetic protein receptor isotypes [1].