Structure

InChI Key FBRAWBYQGRLCEK-RJFLZJKCSA-N
Smile CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@@]21C
InChI
InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18+,19-,23+,24+,25-,26+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32ClFO5
Molecular Weight 478.99
AlogP 4.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 77.51
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Eczema 3 D004485 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2308885
FDA SRS 8U0H6XI6EO
PubChem 71386
ZINC ZINC000072104657