Structure

InChI Key HYHJFNXFVPGMBI-UHFFFAOYSA-N
Smile CN(CC(N)=O)C(=O)N(CCCl)N=O
InChI
InChI=1S/C6H11ClN4O3/c1-10(4-5(8)12)6(13)11(9-14)3-2-7/h2-4H2,1H3,(H2,8,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11ClN4O3
Molecular Weight 222.63
AlogP -0.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 96.07
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 2 D015179 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL166937
DrugBank DB11688
EPA CompTox DTXSID90231487
FDA SRS BHB013S3MO
SureChEMBL SCHEMBL11056837
ZINC ZINC000003811824