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Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

546.69

ALogP

3.91

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1
  • InChIKey: CZGVOBIGEBDYTP-VSGBNLITSA-N
    InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2387408   ChEMBL
linerixibat

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