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Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

339.44

ALogP

3.41

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc2c(c1)CC[C@H](CN(C)CC(=O)O)[C@@H]2c1ccccc1
  • InChIKey: UEBBYLJZCHTLEG-UTKZUKDTSA-N
    InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4228124   ChEMBL
org-25935

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