orelabrutinib Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

427.5

ALogP

4.53

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1
  • InChIKey: MZPVEMOYADUARK-UHFFFAOYSA-N
    InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650321   ChEMBL
orelabrutinib

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