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Chemistry

Mol. Mass

580.76

ALogP

3.77

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc(ccc1Nc2ncnc(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5
  • InChIKey: MGGBYMDAPCCKCT-UHFFFAOYSA-N
    InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545360   ChEMBL
asp-3026

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