spebrutinib Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

423.45

ALogP

4.25

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
  • InChIKey: KXBDTLQSDKGAEB-UHFFFAOYSA-N
    InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3301625   ChEMBL
spebrutinib *

CHEMBL3301600   ChEMBL
spebrutinib besylate

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