ritobegron Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

373.45

ALogP

2.73

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](NCCc1cc(C)c(OCC(=O)O)cc1C)[C@H](O)c2ccc(O)cc2
  • InChIKey: VMMYRRFPMAGXNP-BTYIYWSLSA-N
    InChI=1S/C21H27NO5/c1-13-11-19(27-12-20(24)25)14(2)10-17(13)8-9-22-15(3)21(26)16-4-6-18(23)7-5-16/h4-7,10-11,15,21-23,26H,8-9,12H2,1-3H3,(H,24,25)/t15-,21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107773   ChEMBL
ritobegron

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