Structure

InChI Key JVBQEIRQUCWMTR-UHFFFAOYSA-N
Smile COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(NC(=O)CO)c1
InChI
InChI=1S/C21H19ClN4O5S2/c1-31-16-7-3-6-15-20(16)21(25-33(29,30)19-9-8-17(22)32-19)24-26(15)11-13-4-2-5-14(10-13)23-18(28)12-27/h2-10,27H,11-12H2,1H3,(H,23,28)(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19ClN4O5S2
Molecular Weight 506.99
AlogP 3.54
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 122.55
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 1 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2178575
FDA SRS 07ODS257BP
PubChem 46861584