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Chemistry

Mol. Mass

503.57

ALogP

2.16

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COCCOc1ccc(cc1)N2CCN(CCn3ncc4c3nc(N)n5nc(nc45)c6occc6)CC2
  • InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-N
    InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL240624   ChEMBL
preladenant

Preladenant   Wikipedia

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