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Chemistry

Mol. Mass

400.5

ALogP

2.59

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C1N(CCCCNC[C@H]2CCc3ccccc3O2)S(=O)(=O)c4ccccc14
  • InChIKey: YGYBFMRFXNDIPO-QGZVFWFLSA-N
    InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1614652   ChEMBL
repinotan

Repinotan   Wikipedia

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