hki-357 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

574.06

ALogP

6.68

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
  • InChIKey: NERXPXBELDBEPZ-RMKNXTFCSA-N
    InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL178654   ChEMBL
hki-357

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