AR-H067637

Ligand id: 7688

Name: AR-H067637

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 128.74
Molecular weight 466.12
XLogP 2.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug atecegatran metoxil
IUPAC Name
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide
Database Links
PubChem CID 9811290
Search Google for chemical match using the InChIKey QTUUCFVBSVJGOH-DLBZAZTESA-N
Search Google for chemicals with the same backbone QTUUCFVBSVJGOH
Search UniChem for chemical match using the InChIKey QTUUCFVBSVJGOH-DLBZAZTESA-N
Search UniChem for chemicals with the same backbone QTUUCFVBSVJGOH
Comments
AR-H067637 is the major active metabolite of atecegatran metoxil [1]. PubChem have the non-chiral version of this compound listed with CID 10298659.