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Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

513.55

ALogP

3.77

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC
  • InChIKey: TUWMKPVJGGWGNL-UHFFFAOYSA-N
    InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297502   ChEMBL
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