Structure

InChI Key PSVUJBVBCOISSP-SPFKKGSWSA-N
Smile O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21Cl2N2O7P
Molecular Weight 383.17
AlogP -1.43
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 9.0
Polar Surface Area 140.51
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 132682-98-5
ChEMBL CHEMBL2107143
DrugBank DB06177
FDA SRS 1W5N8SZD9A
PubChem 123628
SureChEMBL SCHEMBL18241
ZINC ZINC000003918137