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Chemistry

Mol. Mass

446.51

ALogP

2.42

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC(=O)[C@H](Cc1cccc(c1)C(=N)N)[C@@H](C)NC(=O)c2ccc(cc2)c3cc[n+]([O-])cc3
  • InChIKey: PFGVNLZDWRZPJW-OPAMFIHVSA-N
    InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL46618   ChEMBL
otamixaban

Otamixaban   Wikipedia

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