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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

436.51

ALogP

3.06

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1
  • InChIKey: ZEOQUKRCASTCFR-UHFFFAOYSA-N
    InChI=1S/C24H28N4O4/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1084617   ChEMBL
temanogrel *

CHEMBL2105696   ChEMBL
temanogrel hydrochloride

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