Structure

InChI Key PRDJGNVQBVXXEO-UHFFFAOYSA-N
Smile N#CCCCSC(=N)N
InChI
InChI=1S/C5H9N3S/c6-3-1-2-4-9-5(7)8/h1-2,4H2,(H3,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N3S
Molecular Weight 143.22
AlogP 0.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 73.66
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 9.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 2 D010051 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297540
DrugBank DB13010
FDA SRS C3059TG1KN
PubChem 437740
SureChEMBL SCHEMBL851495
ZINC ZINC000004642990