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Small molecule Experimental
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Chemistry

Mol. Mass

401.85

ALogP

3.3

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C1CO
  • InChIKey: QLUYMIVVAYRECT-UHFFFAOYSA-N
    InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545283   ChEMBL
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