canertinib Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

485.95

ALogP

4.39

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
  • InChIKey: OMZCMEYTWSXEPZ-UHFFFAOYSA-N
    InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL31965   ChEMBL
canertinib *

CHEMBL545315   ChEMBL
canertinib dihydrochloride

Canertinib   Wikipedia

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