rovatirelin Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

366.44

ALogP

0.68

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)N1CCC[C@H]1C
  • InChIKey: WTXWDXWZGJGIHV-URBCHYCLSA-N
    InChI=1S/C16H22N4O4S/c1-9-4-3-5-20(9)15(22)12(6-11-7-25-8-17-11)18-14(21)13-10(2)24-16(23)19-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,21)(H,19,23)/t9-,10+,12+,13+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297622   ChEMBL
rovatirelin

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