gts-21 Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

308.38

ALogP

3.77

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC)c1
  • InChIKey: RPYWXZCFYPVCNQ-RVDMUPIBSA-N
    InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL134713   ChEMBL
gts-21

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