telcagepant potassium Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

650.69

ALogP

3.69

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCO.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c([O-])nc3ncccc32)CC1.[K+]
  • InChIKey: DYXNKCSVHJFUSS-LEVQAPRMSA-M
    InChI=1S/C26H27F5N6O3.C2H6O.K/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;1-2-3;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);3H,2H2,1H3;/q;;+1/p-1/t15-,19-;;/m1../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105656   ChEMBL
telcagepant potassium

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