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canSAR643281
FEATURES
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NAMES
    SMILES
    Oc1cc(O)c2c(-c3c(O)c(-c4ccc(O)c(O)c4)[o+]c4cc(O)cc(O)c34)c(O)c(-c3ccc(O)c(O)c3)[o+]c2c1
    InChI
    InChI=1S/C30H18O12/c31-13-7-19(37)23-21(9-13)41-29(11-1-3-15(33)17(35)5-11)27(39)25(23)26-24-20(38)8-14(32)10-22(24)42-30(28(26)40)12-2-4-16(34)18(36)6-12/h1-10H,(H8-2,31,32,33,34,35,36,37,38,39,40)/p+2
    MOLECULAR FORMULA
    C30H20O12+2
    CROSS REFERENCES
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    canSAR643281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 572.09
    AlogP 5.80
    HBond donors 10
    HBond acceptors 12
    Atoms 62
    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 canSAR643281.