Structure

InChI Key QJFSABGVXDWMIW-UHFFFAOYSA-N
Smile CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
InChI
InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H24N4O8
Molecular Weight 568.54
AlogP 4.71
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 155.59
Molecular species ACID
Aromatic Rings 6.0
Heavy Atoms 42.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Essential Hypertension 3 D000075222 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 863031-21-4
ChEBI 68845
ChEMBL CHEMBL2028661
DrugBank DB08822
DrugCentral 4322
EPA CompTox DTXSID10235482
FDA SRS LL0G25K7I2
Guide to Pharmacology 6900
PubChem 135409642
SureChEMBL SCHEMBL683374
ZINC ZINC000014210642