canSAR2255344
FEATURES
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NAMES
    SMILES
    O=C(COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)NCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1
    InChI
    InChI=1S/C22H21ClN2O11P2/c23-16-2-1-3-17(11-16)25-22(27)15-5-7-18(8-6-15)34-13-21(26)24-12-14-4-9-19(35-37(28,29)30)20(10-14)36-38(31,32)33/h1-11H,12-13H2,(H,24,26)(H,25,27)(H2,28,29,30)(H2,31,32,33)
    MOLECULAR FORMULA
    C22H21ClN2O11P2
    CROSS REFERENCES
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    canSAR2255344
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight586.03
    AlogP3.23
    HBond donors6
    HBond acceptors13
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255344.