Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J04AK03
UNII: 1199LEX5N8

Structure

InChI Key ODKYYBOHSVLGNU-IAGONARPSA-N
Smile O=C1NOCC1/N=C/c1ccc(/C=N/C2CONC2=O)cc1
InChI
InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)/b15-5+,16-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14N4O4
Molecular Weight 302.29
AlogP -0.62
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 101.38
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tuberculosis, Multidrug-Resistant 2 D018088 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 25683-71-0
ChEBI 135278
ChEMBL CHEMBL2107553
DrugBank DB12954
DrugCentral 2602
FDA SRS 1199LEX5N8
PubChem 65720
SureChEMBL SCHEMBL193690