neratinib maleate (nerlynx) Report issue

Small molecule Approved FDA
Drugs@FDA

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Chemistry

Mol. Mass

673.13

ALogP

5.93

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C.OC(=O)\C=C/C(=O)O
  • InChIKey: VXZCUHNJXSIJIM-MEBGWEOYSA-N
    InChI=1S/C30H29ClN6O3.C4H4O4/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;5-3(6)1-2-4(7)8/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);1-2H,(H,5,6)(H,7,8)/b9-7+;2-1-
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989921   ChEMBL
neratinib maleate *

Neratinib   Wikipedia

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