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Chemistry

Mol. Mass

434.52

ALogP

2.76

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN(C)Cc1oc(CSCCN\C(=C/[N+](=O)[O-])\NCc2ccc3OCOc3c2)cc1
  • InChIKey: HXRSXEDVVARPHP-UDWIEESQSA-N
    InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3/b20-12+
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1909284   ChEMBL
niperotidine

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