Structure

InChI Key BKCJZNIZRWYHBN-UHFFFAOYSA-N
Smile O=P(O)(NCCCl)NCCCl
InChI
InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11Cl2N2O2P
Molecular Weight 221.02
AlogP 0.74
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 61.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
CROSS-LINKING AGENT DNA cross-linking agent PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma 3 D012509 ClinicalTrials
Small Cell Lung Carcinoma 3 D055752 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 31645-39-3
ChEBI 80566
ChEMBL CHEMBL889
DrugBank DB05668
FDA SRS 6A4U6NN813
Human Metabolome Database HMDB0060691
KEGG C16559
PubChem 100427
SureChEMBL SCHEMBL1818045
ZINC ZINC000001869573