Ligand id: 4139

Name: aspirin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 180.04
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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Synthesis and biological evaluation of salicylic acid and N-acetyl-2-carboxybenzenesulfonamide regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity.
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N-Caffeoyl serotonin as selective COX-2 inhibitor.
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Nonsteroid anti-inflammatory drugs inhibit both the activity and the inflammation-induced expression of acid-sensing ion channels in nociceptors.
J. Neurosci., 21 (20): 8026-33. [PMID:11588175]