cenerimod Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

453.54

ALogP

4.07

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO
  • InChIKey: KJKKMMMRWISKRF-FQEVSTJZSA-N
    InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297505   ChEMBL
cenerimod

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