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Chemistry

Mol. Mass

566.53

ALogP

4.1

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Oc1nc2ncccc2n1C3CCN(CC3)C(=O)N[C@@H]4CC[C@H](CN(CC(F)(F)F)C4=O)c5cccc(F)c5F
  • InChIKey: CGDZXLJGHVKVIE-DNVCBOLYSA-N
    InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL236593   ChEMBL
telcagepant

Telcagepant   Wikipedia

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