Structure

InChI Key UGBMEXLBFDAOGL-INIZCTEOSA-N
Smile COc1cc2c(c(OC)c1OC)-c1ccc(OP(=O)(O)O)cc1[C@@H](NC(C)=O)CC2
InChI
InChI=1S/C20H24NO8P/c1-11(22)21-16-8-5-12-9-17(26-2)19(27-3)20(28-4)18(12)14-7-6-13(10-15(14)16)29-30(23,24)25/h6-7,9-10,16H,5,8H2,1-4H3,(H,21,22)(H2,23,24,25)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24NO8P
Molecular Weight 437.39
AlogP 2.97
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 123.55
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Neoplasm Metastasis 2 D009362 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL257662
DrugBank DB11872
FDA SRS GBO3S6M9W7
PubChem 9896434
SureChEMBL SCHEMBL1285000
ZINC ZINC000003993833