compound 46 [PMID: 16451062]

Ligand id: 8355

Name: compound 46 [PMID: 16451062]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 149.97
Molecular weight 580.23
XLogP 3.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(3-fluorophenyl)-2-[2-[[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
Database Links
ChEMBL Ligand CHEMBL201307
PubChem CID 9916282
Search Google for chemical match using the InChIKey QNJAKUMXJFWQOG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QNJAKUMXJFWQOG
Search UniChem for chemical match using the InChIKey QNJAKUMXJFWQOG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QNJAKUMXJFWQOG
Comments
Compound 46 is a modified analogue of ZM447439, with improved affinity for Aurora kinases A and B [1].