mbx-2982 Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

448.56

ALogP

3.43

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
  • InChIKey: NFTMKHWBOINJGM-UHFFFAOYSA-N
    InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3260505   ChEMBL
mbx-2982

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