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Chemistry

Mol. Mass

384.429

ALogP

2.12

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCN1C2=C(N(C)C(\C=C\C3=CC(OC)=C(OC)C=C3)=N2)C(=O)N(CC)C1=O
  • InChIKey: IQVRBWUUXZMOPW-PKNBQFBNSA-N
    1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL431770   ChEMBL
istradefylline

2GZ0LIK7T4   NCATS
istradefylline *

Istradefylline   Wikipedia

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