Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: D07AD01

Structure

InChI Key FCSHDIVRCWTZOX-DVTGEIKXSA-N
Smile C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
InChI
InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28ClFO4
Molecular Weight 410.91
AlogP 3.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Reference
Scleroderma, Localized Phase 1 ClinicalTrials
Dermatitis; Dermatitis, Contact; Dermatitis, Occupational Phase 4 ClinicalTrials
Psoriasis Phase 2/Phase 3 ClinicalTrials
Graft vs Host Disease; Oral Manifestations Phase 3 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt