domitroban

Ligand id: 1979

Name: domitroban

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 91.85
Molecular weight 377.17
XLogP 4.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1R,4S,5S,6S)-5-(phenylsulfonylamino)-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
International Nonproprietary Names
INN number INN
7348 domitroban
Synonyms
(+)-S-145 | S-145
Database Links
CAS Registry No. 112966-96-8 (source: Scifinder)
ChEMBL Ligand CHEMBL3301671
PubChem CID 5312138
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