Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K56K9G4PPM

Structure

InChI Key VJKRBRUNEOHPBS-BUPULCDWSA-N
Smile C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@@H](c3ccco3)O[C@]12C(=O)CF
InChI
InChI=1S/C25H29FO5/c1-24-9-8-17-16-7-5-15(27)11-14(16)4-6-18(17)19(24)12-22-25(24,21(28)13-26)31-23(30-22)20-3-2-10-29-20/h2-3,10-11,16-19,22-23H,4-9,12-13H2,1H3/t16-,17+,18+,19-,22+,23+,24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H29FO5
Molecular Weight 428.5
AlogP 4.72
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 65.74
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL378031
FDA SRS K56K9G4PPM
PubChem 11453125
ZINC ZINC000003932055