Structure

InChI Key YAKWPXVTIGTRJH-UHFFFAOYSA-N
Smile CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19ClN3O5P
Molecular Weight 315.69
AlogP 2.53
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 97.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 3 D008545 ClinicalTrials
Melanoma 3 D008545 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 92118-27-9
ChEBI 131852
ChEMBL CHEMBL549386
DrugCentral 1249
FDA SRS UPB2NN83AR
PubChem 104799
SureChEMBL SCHEMBL8880