Branebrutinib Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

370.43

ALogP

2.13

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
  • InChIKey: VJPPLCNBDLZIFG-ZDUSSCGKSA-N
    InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297674   ChEMBL
branebrutinib

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