palindore Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

310.35

ALogP

2.11

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CO3)N1
  • InChIKey: DYJIKHYBKVODAC-ZDUSSCGKSA-N
    InChI=1S/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)/t13-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2110659   ChEMBL
aplindore *

CHEMBL2104864   ChEMBL
aplindore fumarate

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