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Chemistry

Mol. Mass

744.91

ALogP

2.21

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C\C(=N/NC(=N)N)\c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(cc(c2)\C(=N\NC(=N)N)\C)\C(=N\NC(=N)N)\C)cc(c1)\C(=N\NC(=N)N)\C
  • InChIKey: PWDYHMBTPGXCSN-VCBMUGGBSA-N
    InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19+,46-20+,47-21+,48-22+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107779   ChEMBL
semapimod

Semapimod   Wikipedia

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