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Small molecule Experimental

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Chemistry

Mol. Mass

360.75

ALogP

1.69

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(Cl)cc2)cc1O
  • InChIKey: AIKDJELJHUPYNG-UHFFFAOYSA-N
    InChI=1S/C17H13ClN2O5/c18-12-3-5-13(6-4-12)25-7-1-2-11-8-14(21)16(19-9-11)17(24)20-10-15(22)23/h3-6,8-9,21H,7,10H2,(H,20,24)(H,22,23)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4162752   ChEMBL
ddo-3055

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