cilobradine Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

482.62

ALogP

3.6

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc(CCN2CCC[C@H](CN3CCc4cc(OC)c(OC)cc4CC3=O)C2)cc1OC
  • InChIKey: OBUFMJDDZTXJPY-NRFANRHFSA-N
    InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1436376   ChEMBL
cilobradine *

CHEMBL2105984   ChEMBL

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