Structure

InChI Key IDPUKCWIGUEADI-UHFFFAOYSA-N
Smile O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1
InChI
InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11Cl2N3O2
Molecular Weight 252.1
AlogP 0.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 68.96
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor FDA ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 66-75-1
ChEBI 9884
ChEMBL CHEMBL1488
DrugBank DB00791
DrugCentral 2795
EPA CompTox DTXSID8026270
FDA SRS W7KQ46GJ8U
Human Metabolome Database HMDB0014929
Guide to Pharmacology 7621
KEGG C11686
PharmGKB PA451830
PubChem 6194
SureChEMBL SCHEMBL4091
ZINC ZINC000000002235