Structure

InChI Key ZDWFMAHQGDEALT-UHFFFAOYSA-N
Smile COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1OP(=O)(O)O
InChI
InChI=1S/C16H13FNO6P/c1-23-14-6-5-11-15(16(14)24-25(20,21)22)13(19)8-12(18-11)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,18,19)(H2,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13FNO6P
Molecular Weight 365.25
AlogP 2.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 108.85
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma 1 D002277 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1615993
DrugBank DB16172
FDA SRS 2X2DNM7NGX
PubChem 49840582
SureChEMBL SCHEMBL339272
ZINC ZINC000064447756