alisertib Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

518.93

ALogP

5.75

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(=O)O)c(OC)c4)nc3c5ccc(Cl)cc25
  • InChIKey: ZLHFILGSQDJULK-UHFFFAOYSA-N
    InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL483158   ChEMBL
alisertib

Alisertib   Wikipedia

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