Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: AG92SGO434

Structure

InChI Key KNQLNDPHLXIOCY-UHFFFAOYSA-N
Smile CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C(=O)O)cc2)CC(C)(C)C1
InChI
InChI=1S/C24H28O3/c1-23(2)13-19(14-24(3,4)15-23)21(17-9-11-20(25)12-10-17)16-5-7-18(8-6-16)22(26)27/h5-12,25H,13-15H2,1-4H3,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28O3
Molecular Weight 364.49
AlogP 6.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 57.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297493
DrugBank DB16110
FDA SRS AG92SGO434
SureChEMBL SCHEMBL3467757