netupitant (Akynzeo) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

578.5917

ALogP

6.79

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CN=C(C=C2C3=C(C)C=CC=C3)N4CCN(C)CC4
  • InChIKey: WAXQNWCZJDTGBU-UHFFFAOYSA-N
    1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL206253   ChEMBL
netupitant

7732P08TIR   NCATS
netupitant *

Netupitant   Wikipedia

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