ly-2452473 Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

374.44

ALogP

3.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)OC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
  • InChIKey: IHIWYQYVBNODSV-KRWDZBQOSA-N
    InChI=1S/C22H22N4O2/c1-14(2)28-22(27)25-17-10-19-18-9-15(12-23)6-7-20(18)26(21(19)11-17)13-16-5-3-4-8-24-16/h3-9,14,17H,10-11,13H2,1-2H3,(H,25,27)/t17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3542265   ChEMBL
ly2452473

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