tolebrutinib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

455.52

ALogP

3.91

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1
  • InChIKey: KOEUOFPEZFUWRF-LJQANCHMSA-N
    InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650323   ChEMBL
tolebrutinib

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