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PIO
FEATURES
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NAMES
  • PIO
SMILES
CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)OC(=O)CCCCCCC
InChI
InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1
MOLECULAR FORMULA
C25H49O19P3
CROSS REFERENCES
  • UniChem: 22895974
  • canSAR: 1017351
  • PDBe (Protein Data Bank Europe): PIO
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PIO

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 746.21
AlogP 1.72
HBond donors 8
HBond acceptors 19
Atoms 96
Contains toxicophore Yes
Contains PAINS No
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by PIO.