Remibrutinib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

507.54

ALogP

4.47

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C
  • InChIKey: CUABMPOJOBCXJI-UHFFFAOYSA-N
    InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4483575   ChEMBL
remibrutinib

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