Structure

InChI Key NECZZOFFLFZNHL-XVGZVFJZSA-N
Smile Cl.N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O
InChI
InChI=1S/C26H40Cl4N5O10PS.ClH/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19;/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41);1H/t20-,21-,23+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H41Cl5N5O10PS
Molecular Weight 823.94
AlogP 1.7
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 25.0
Polar Surface Area 225.74
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 47.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 3 D010051 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2107319
FDA SRS 1LI341K7NQ