vernakalant Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

349.47

ALogP

2.64

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc(CCO[C@@H]2CCCC[C@H]2N3CC[C@@H](O)C3)cc1OC
  • InChIKey: VBHQKCBVWWUUKN-KZNAEPCWSA-N
    InChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2111112   ChEMBL
vernakalant *

CHEMBL2107383   ChEMBL
vernakalant hydrochloride

Vernakalant   Wikipedia

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