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canSAR1157459
FEATURES
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NAMES
    SMILES
    CCOP(=O)(OCC)C(NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1c2ccccc2cc2ccccc12
    InChI
    InChI=1S/C34H28NO8P/c1-3-42-44(41,43-4-2)34(28-22-12-7-5-10-19(22)16-20-11-6-8-13-23(20)28)35-33(40)21-17-25-30(27(37)18-21)32(39)29-24(31(25)38)14-9-15-26(29)36/h5-18,34,36-37H,3-4H2,1-2H3,(H,35,40)
    MOLECULAR FORMULA
    C34H28NO8P
    CROSS REFERENCES
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    canSAR1157459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.16
    AlogP 6.87
    HBond donors 3
    HBond acceptors 9
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1157459.