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Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

398.49

ALogP

3.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1
  • InChIKey: ADZBMFGQQWPHMJ-RHSMWYFYSA-N
    InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4227505   ChEMBL
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