Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5970HH9923

Structure

InChI Key PBUUPFTVAPUWDE-UHFFFAOYSA-N
Smile O=P1(N(CCCl)CCCl)NC(SCCS(=O)(=O)O)CCO1
InChI
InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19Cl2N2O5PS2
Molecular Weight 401.27
AlogP 1.83
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 1 D007938 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Meningeal Neoplasms 1 D008577 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials
Meningeal Neoplasms 1 D008577 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 88859-04-5
ChEMBL CHEMBL59990
FDA SRS 5970HH9923
PubChem 76968809
SureChEMBL SCHEMBL1652310