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Small molecule Experimental
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Chemistry

Mol. Mass

337.4553

ALogP

4.24

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C3=CC=CC=C3
  • InChIKey: MXYUKLILVYORSK-HBMCJLEFSA-N
    1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL122270   ChEMBL
lobeline

CHEMBL2103769   ChEMBL
lobeline

D0P25S3P81   NCATS
lobeline *

Lobeline   Wikipedia

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