Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03AC17
UNII: 9KY0QXD6LI

Structure

InChI Key FZGVEKPRDOIXJY-UHFFFAOYSA-N
Smile Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
InChI
InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H31NO5
Molecular Weight 461.56
AlogP 5.16
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 84.86
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3133
ChEMBL CHEMBL1201295
DrugBank DB00901
DrugCentral 384
EPA CompTox DTXSID1022683
FDA SRS 9KY0QXD6LI
KEGG C06853
PubChem 35330
SureChEMBL SCHEMBL28133