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Small molecule Experimental
AACT DrugBank

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Chemistry

Mol. Mass

374.48

ALogP

4.4

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12
  • InChIKey: RZNUIYPHQFXBAN-XLIONFOSSA-N
    InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297621   ChEMBL
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