CRA1000

Ligand id: 3498

Name: CRA1000

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 57.56
Molecular weight 476.24
XLogP 8.36
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine
Synonyms
CRA-1000
Database Links
CAS Registry No. 226948-11-4 (source: Scifinder)
ChEMBL Ligand CHEMBL297986
PubChem CID 9849313
Search Google for chemical match using the InChIKey DDSMCPASYQDKFS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DDSMCPASYQDKFS
Search UniChem for chemical match using the InChIKey DDSMCPASYQDKFS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DDSMCPASYQDKFS