gandotinib Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

469.95

ALogP

4.03

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1
  • InChIKey: SQSZANZGUXWJEA-UHFFFAOYSA-N
    InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107823   ChEMBL
gandotinib

Gandotinib   Wikipedia

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