entrectinib (Rozlytrek) Report issue

Small molecule Orphan Drug FDA Approved FDA Accelerated Approval FDA Priority Review FDA
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

560.6375

ALogP

5.03

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN1CCN(CC1)C2=CC=C(C(=O)NC3=NNC4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(NC6CCOCC6)=C2
  • InChIKey: HAYYBYPASCDWEQ-UHFFFAOYSA-N
    1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1983268   ChEMBL
entrectinib

L5ORF0AN1I   NCATS
entrectinib *

Entrectinib   Wikipedia

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