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Chemistry

Mol. Mass

402.5

ALogP

3.13

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCOc1cc(N)c(cc1C(=O)NC2CCN(CC3CCC=CC3)CC2)[N+](=O)[O-]
  • InChIKey: ZDLBNXXKDMLZMF-UHFFFAOYSA-N
    InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2104523   ChEMBL
cinitapride

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