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canSAR1864734
FEATURES
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NAMES
    SMILES
    CC(C)CC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O
    InChI
    InChI=1S/C43H34O8/c1-22(2)21-29(44)32-41(49)35(30(23-13-5-3-6-14-23)33-37(45)25-17-9-10-18-26(25)38(33)46)43(51)36(42(32)50)31(24-15-7-4-8-16-24)34-39(47)27-19-11-12-20-28(27)40(34)48/h3-20,22,30-31,45,47,49-51H,21H2,1-2H3
    MOLECULAR FORMULA
    C43H34O8
    CROSS REFERENCES
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    canSAR1864734

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 678.23
    AlogP 8.63
    HBond donors 5
    HBond acceptors 8
    Atoms 85
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1864734.