BMS pyrazole inhibitor 7f

Ligand id: 7030

Name: BMS pyrazole inhibitor 7f

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 152.99
Molecular weight 513.12
XLogP 4.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-amino-N-[(3-{5-[5-(1,3-benzothiazol-7-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}phenyl)methyl]propanamide
Database Links
ChEMBL Ligand CHEMBL468927
GtoPdb PubChem SID 178103609
PubChem CID 44219611
Search Google for chemical match using the InChIKey KODBDIFHMBDFOH-LBPRGKRZSA-N
Search Google for chemicals with the same backbone KODBDIFHMBDFOH
Search UniChem for chemical match using the InChIKey KODBDIFHMBDFOH-LBPRGKRZSA-N
Search UniChem for chemicals with the same backbone KODBDIFHMBDFOH