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3XU
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NAMES
  • 3XU
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@@H](O)/C=C\CCCCCCCCCCCCC
InChI
InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20-,40-38-/t45-,46-/m0/s1
MOLECULAR FORMULA
C47H94N2O6P+
CROSS REFERENCES
  • UniChem: 98009198
  • canSAR: 1716160
  • PDBe (Protein Data Bank Europe): 3XU
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3XU

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 813.68
AlogP 13.31
HBond donors 3
HBond acceptors 8
Atoms 150
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3XU.