atogepant (Qulipta) Report issue

Small molecule Approved FDA Priority Review FDA
AACT PubChem

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Chemistry

Mol. Mass

603.52

ALogP

3.95

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F
  • InChIKey: QIVUCLWGARAQIO-OLIXTKCUSA-N
    InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3991065   ChEMBL
atogepant

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