nemiralisib Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

440.55

ALogP

4.89

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1
  • InChIKey: MCIDWGZGWVSZMK-UHFFFAOYSA-N
    InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2216859   ChEMBL
nemiralisib

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