aurora kinase inhibitor III

Ligand id: 5931

Name: aurora kinase inhibitor III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 78.94
Molecular weight 413.15
XLogP 5.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
Synonyms
2np8
Database Links
CAS Registry No. 879127-16-9
ChEMBL Ligand CHEMBL383899
DrugBank Ligand DB07545
PubChem CID 9549303
RCSB PDB Ligand CC3
Search Google for chemical match using the InChIKey RDTDWGQDFJPTPD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RDTDWGQDFJPTPD
Search UniChem for chemical match using the InChIKey RDTDWGQDFJPTPD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RDTDWGQDFJPTPD
SynPHARM 80348 (in complex with aurora kinase A)