dacomitinib

Ligand id: 7422

Name: dacomitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 79.38
Molecular weight 469.17
XLogP 3.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
International Nonproprietary Names
INN number INN
9314 dacomitinib
Synonyms
PF-00299804
Database Links
CAS Registry No. 1110813-31-4
ChEMBL Ligand CHEMBL2110732
PubChem CID 11511120
RCSB PDB Ligand 1C9
Search Google for chemical match using the InChIKey LVXJQMNHJWSHET-AATRIKPKSA-N
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Search UniChem for chemical match using the InChIKey LVXJQMNHJWSHET-AATRIKPKSA-N
Search UniChem for chemicals with the same backbone LVXJQMNHJWSHET
Wikipedia Dacomitinib