Tuxobertinib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

561.04

ALogP

4.84

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCN1CCOCC1
  • InChIKey: HIBPKFXWOPYJPZ-UHFFFAOYSA-N
    InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650279   ChEMBL
tuxobertinib

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