Structure

InChI Key BARDROPHSZEBKC-OITMNORJSA-N
Smile C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI
InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22F7N4O6P
Molecular Weight 614.41
AlogP 4.37
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 129.91
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 41.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Genital Neoplasms, Female 3 D005833 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Nausea 3 D009325 ClinicalTrials
Postoperative Nausea and Vomiting 3 D020250 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Nasopharyngeal Neoplasms 1 D009303 ClinicalTrials
Brain Injuries 0 D001930 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 172673-20-0
ChEBI 64321
ChEMBL CHEMBL1199324
DrugBank DB06717
DrugCentral 4470
FDA SRS 6L8OF9XRDC
Human Metabolome Database HMDB0015662
Guide to Pharmacology 7623
PharmGKB PA165958390
PubChem 135413538
SureChEMBL SCHEMBL309491
ZINC ZINC000003939013