Structure

InChI Key JLDCNMJPBBKAHH-UHFFFAOYSA-N
Smile Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+]
InChI
InChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N4NaO2S
Molecular Weight 272.26
AlogP 0.86
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 97.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1200351
EPA CompTox DTXSID20203152
FDA SRS 84CS1P306F
PubChem 15899898