centanafadine Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

209.29

ALogP

2.7

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1
  • InChIKey: HKHCSWPSUSWGLI-CABCVRRESA-N
    InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3301621   ChEMBL
centanafadine *

CHEMBL3301615   ChEMBL
centanafadine hydrochloride

Centanafadine   Wikipedia

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