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Chemistry

Mol. Mass

404.47

ALogP

3.63

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N
  • InChIKey: XRVDGNKRPOAQTN-FQEVSTJZSA-N
    InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3707247   ChEMBL
ozanimod *

CHEMBL3707246   ChEMBL
ozanimod hydrochloride

CHEMBL4297708   ChEMBL
bms-986258

CHEMBL4802168   ChEMBL
bms-986318

CHEMBL4873876   ChEMBL
bms-986224

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