Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01AD02
UNII 7BRF0Z81KG
EPA CompTox DTXSID2023222

Structure

InChI Key GQYIWUVLTXOXAJ-UHFFFAOYSA-N
Smiles O=NN(CCCl)C(=O)NC1CCCCC1
InChI
InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16ClN3O2
Molecular Weight 233.7
AlogP 2.25
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 61.77
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR FDA

Related Entries

Cross References

Resources Reference
ChEBI 6520
ChEMBL CHEMBL514
DrugBank DB01206
DrugCentral 1596
FDA SRS 7BRF0Z81KG
Human Metabolome Database HMDB0015337
Guide to Pharmacology 7214
KEGG C07079
PharmGKB PA164749407
PubChem 3950
SureChEMBL SCHEMBL3995
ZINC ZINC000003831006