protecadin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

431.56

ALogP

2.66

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: [O-][S+](CC(=O)NC\C=C/COc1cc(CN2CCCCC2)ccn1)Cc3occc3
  • InChIKey: KMZQAVXSMUKBPD-DJWKRKHSSA-N
    InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1742461   ChEMBL
lafutidine

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