sulukast

Ligand id: 3327

Name: sulukast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 137.29
Molecular weight 472.25
XLogP 8.23
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanyl}propanoic acid
International Nonproprietary Names
INN number INN
6590 sulukast
Database Links
CAS Registry No. 98116-53-1 (source: Scifinder)
ChEMBL Ligand CHEMBL278570
PubChem CID 6436123
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Search UniChem for chemical match using the InChIKey YPHOSUPSOWQQCB-AFOLHBCXSA-N
Search UniChem for chemicals with the same backbone YPHOSUPSOWQQCB