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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

294.31

ALogP

2.98

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)n1cc(C#N)c2cc(-n3cc(C(=O)O)cn3)ccc21
  • InChIKey: JLQQRYOWGCIMMZ-UHFFFAOYSA-N
    InChI=1S/C16H14N4O2/c1-10(2)19-8-11(6-17)14-5-13(3-4-15(14)19)20-9-12(7-18-20)16(21)22/h3-5,7-10H,1-2H3,(H,21,22)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3652780   ChEMBL
tigulixostat

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