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canSAR727680
FEATURES
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NAMES
    SMILES
    O=C(O)c1cc(OCCNC(=O)c2cc(O)c(O)c(O)c2)cc(OCCNC(=O)c2cc(O)c(O)c(O)c2)c1
    InChI
    InChI=1S/C25H24N2O12/c28-17-7-12(8-18(29)21(17)32)23(34)26-1-3-38-15-5-14(25(36)37)6-16(11-15)39-4-2-27-24(35)13-9-19(30)22(33)20(31)10-13/h5-11,28-33H,1-4H2,(H,26,34)(H,27,35)(H,36,37)
    MOLECULAR FORMULA
    C25H24N2O12
    CROSS REFERENCES
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    canSAR727680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.13
    AlogP 1.24
    HBond donors 9
    HBond acceptors 14
    Atoms 63
    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 canSAR727680.