PD 158780

Ligand id: 6015

Name: PD 158780

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 62.73
Molecular weight 329.03
XLogP 2.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
Synonyms
AC1L1IRV | PD-158780 | PD158780
Database Links
CAS Registry No. 171179-06-9
ChEMBL Ligand CHEMBL53753
PubChem CID 4707
Search Google for chemical match using the InChIKey KFHMLBXBRCITHF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KFHMLBXBRCITHF
Search UniChem for chemical match using the InChIKey KFHMLBXBRCITHF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KFHMLBXBRCITHF
Comments
This is the second compound of the C series in [3] (see Table 2).