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Chemistry

Mol. Mass

461.99

ALogP

3.39

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
  • InChIKey: RKWKLTLIBREDHD-DEOSSOPVSA-N
    InChI=1S/C24H32ClN3O4/c1-17(29)27-22-8-7-21(30)13-23(22)32-16-24(2,31)15-26-20-9-11-28(12-10-20)14-18-3-5-19(25)6-4-18/h3-8,13,20,26,30-31H,9-12,14-16H2,1-2H3,(H,27,29)/t24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2178570   ChEMBL
azd4818

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