acalisib Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

401.41

ALogP

3.36

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
  • InChIKey: DOCINCLJNAXZQF-LBPRGKRZSA-N
    InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545397   ChEMBL
acalisib

CHEMBL4303323   ChEMBL
acalisib

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