Brepocitinib Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

389.41

ALogP

1.79

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1cc(Nc2nccc(N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1
  • InChIKey: BUWBRTXGQRBBHG-MJBXVCDLSA-N
    InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297477   ChEMBL
brepocitinib

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