Structure

InChI Key HNNIWKQLJSNAEQ-UHFFFAOYSA-N
Smile CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl
InChI
InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24ClN3O
Molecular Weight 345.87
AlogP 3.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 30.29
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stomatitis 3 D013280 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 31266
ChEMBL CHEMBL1528134
EPA CompTox DTXSID1045293
FDA SRS K2GI407R4Q
PubChem 65464
SureChEMBL SCHEMBL42644