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Small molecule Experimental
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Chemistry

Mol. Mass

364.28

ALogP

3.69

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.Cl
  • InChIKey: MQBBSMNIRWXALO-UHFFFAOYSA-N
    InChI=1S/C18H18ClN3O.ClH/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12;/h3-8,11,23H,9-10H2,1-2H3;1H
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297457   ChEMBL
bms-823778

CHEMBL4301600   ChEMBL
bms-823778

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