omaveloxolone (SKYCLARYS) Report issue

Small molecule Orphan Drug FDA Approved FDA Fast Track FDA Priority Review FDA
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

545.81

ALogP

8.21

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)C(=O)C[C@]12CCC(C)(C)C[C@H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2
  • InChIKey: JVOADWNONSFZQK-ONLUTREGSA-N
    InChI=1S/C36H51NO3/c1-30(2,3)27(39)20-36-15-13-31(4,5)19-23(36)28-24(38)17-26-33(8)18-22(21-37)29(40)32(6,7)25(33)11-12-34(26,9)35(28,10)14-16-36/h17-18,23,25,28H,11-16,19-20H2,1-10H3/t23-,25-,28-,33-,34+,35+,36+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707273   ChEMBL
omaveloxolone

CHEMBL4303525   ChEMBL
omaveloxolone

Omaveloxolone   Wikipedia

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