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Chemistry

Mol. Mass

518.66

ALogP

2.76

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c3ccc(C)nc3C)C(=O)[C@H](NC1=O)C4Cc5ccccc5C4
  • InChIKey: UWHCWRQFNKUYCG-QUZACWSFSA-N
    InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2037511   ChEMBL
epelsiban *

CHEMBL2105736   ChEMBL
epelsiban besylate

Epelsiban   Wikipedia

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