encenicline Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

320.85

ALogP

3.38

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Clc1cccc2cc(sc12)C(=O)N[C@H]3CN4CCC3CC4
  • InChIKey: SSRDSYXGYPJKRR-ZDUSSCGKSA-N
    InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2151572   ChEMBL
encenicline *

CHEMBL3137323   ChEMBL
encenicline hydrochloride

Encenicline   Wikipedia

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