vibegron (Gemtesa) Report issue

Small molecule Approved FDA
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

444.54

ALogP

2.77

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21
  • InChIKey: DJXRIQMCROIRCZ-XOEOCAAJSA-N
    InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107826   ChEMBL
vibegron

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