Structure

InChI Key SRVJKTDHMYAMHA-WUXMJOGZSA-N
Smile CC(=O)Nc1ccc(/C=N/NC(N)=S)cc1
InChI
InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N4OS
Molecular Weight 236.3
AlogP 0.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 79.51
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mycobacterium avium-intracellulare Infection 2 D015270 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 104-06-3
ChEMBL CHEMBL375492
DrugBank DB12829
EPA CompTox DTXSID2022593
FDA SRS MMG78X7SSR
PubChem 9568512
SureChEMBL SCHEMBL42515
ZINC ZINC000017970372