Eliapixant Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

478.5

ALogP

4.59

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
  • InChIKey: GTQPEQGDLVSFJO-CXAGYDPISA-N
    InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095224   ChEMBL
eliapixant

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