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Chemistry

Mol. Mass

416.52

ALogP

3.16

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)C34CCC(CCC(=O)O)(CC3)CC4
  • InChIKey: ZWTVVWUOTJRXKM-UHFFFAOYSA-N
    InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL414157   ChEMBL
tonapofylline

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