atagabalin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

185.27

ALogP

1.47

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C
  • InChIKey: IUVMAUQEZFTTFB-YUMQZZPRSA-N
    InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL593430   ChEMBL
atagabalin

Atagabalin   Wikipedia

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