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Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

406.49

ALogP

4.58

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC[C@H](Nc1cc(C)nc2c(c(C)nn12)c3ccc(OC)cc3C)c4onc(C)n4
  • InChIKey: VKHVAUKFLBBZFJ-SFHVURJKSA-N
    InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1287935   ChEMBL
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