compound 13b [PMID: 18412317]

Ligand id: 2988

Name: compound 13b [PMID: 18412317]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 153.21
Molecular weight 484.21
XLogP 2.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Database Links
ChEMBL Ligand CHEMBL466929
GtoPdb PubChem SID 135649764
PubChem CID 56947036
Search Google for chemical match using the InChIKey KOTLFRFIWUOROR-VEUZHWNKSA-M
Search Google for chemicals with the same backbone KOTLFRFIWUOROR
Search UniChem for chemical match using the InChIKey KOTLFRFIWUOROR-VEUZHWNKSA-M
Search UniChem for chemicals with the same backbone KOTLFRFIWUOROR
Comments
ChEMBL represents this compound without the charges.