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Chemistry

Mol. Mass

460.98

ALogP

4.27

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCC\N=C\1/S\C(=C/c2ccc(OC[C@H](O)CO)c(Cl)c2)\C(=O)N1c3ccccc3C
  • InChIKey: LPAUOXUZGSBGDU-STDDISTJSA-N
    InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1096146   ChEMBL
ponesimod

Ponesimod   Wikipedia

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