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Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

393.53

ALogP

4.79

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc([C@H]2CNC(=O)[C@H](Cc3cccc(C)c3)C2)cc1OC1CCCC1
  • InChIKey: ABEJDMOBAFLQNJ-NHCUHLMSSA-N
    InChI=1S/C25H31NO3/c1-17-6-5-7-18(12-17)13-20-14-21(16-26-25(20)27)19-10-11-23(28-2)24(15-19)29-22-8-3-4-9-22/h5-7,10-12,15,20-22H,3-4,8-9,13-14,16H2,1-2H3,(H,26,27)/t20-,21-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297287   ChEMBL
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