BMS-962212

Ligand id: 9884

Name: BMS-962212

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 153.86
Molecular weight 658.19
XLogP 3.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(4-methyl-2-oxopiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]benzoic acid
Synonyms
BMS962212 | compound 55 [PMID: 29077405]
Comments
BMS-962212 is a reversible, direct, and highly selective small molecule inhibitor of the serine protease FXIa [2].
Database Links
GtoPdb PubChem SID 363894178
PubChem CID 71548883
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