zavegepant (zavzpret) Report issue

Small molecule Approved FDA

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Chemistry

Mol. Mass

638.82

ALogP

3.45

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12
  • InChIKey: JJVAPHYEOZSKJZ-JGCGQSQUSA-N
    InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2397415   ChEMBL
zavegepant

CHEMBL4650220   ChEMBL
zavegepant hydrochloride

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