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Small molecule Experimental

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Chemistry

Mol. Mass

386.44

ALogP

-0.48

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: NCC(=O)Nc1cncc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1
  • InChIKey: LTVKZVGAALCRFW-UHFFFAOYSA-N
    InChI=1S/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3114577   ChEMBL
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