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PLI
FEATURES
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NAMES
  • PLI
SMILES
CC1=C(O)/C(=C\N=C(/C)C(=O)O)C(COP(=O)(O)O)=CN1
InChI
InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,12,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b9-4-,13-7+
MOLECULAR FORMULA
C11H15N2O7P
CROSS REFERENCES
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PLI

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 318.06
AlogP 0.80
HBond donors 5
HBond acceptors 9
Atoms 36
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 PLI.