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canSAR654658
FEATURES
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NAMES
    SMILES
    CC(=O)Oc1ccc(/C=C/C(=O)O[C@@H]2C=C[C@@]3(C[C@H]2OC(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)OC(C)(C)OC3=O)cc1OC(C)=O
    InChI
    InChI=1S/C36H34O15/c1-20(37)44-26-11-7-24(17-29(26)46-22(3)39)9-13-32(41)48-28-15-16-36(34(43)50-35(5,6)51-36)19-31(28)49-33(42)14-10-25-8-12-27(45-21(2)38)30(18-25)47-23(4)40/h7-18,28,31H,19H2,1-6H3/b13-9+,14-10+/t28-,31-,36+/m1/s1
    MOLECULAR FORMULA
    C36H34O15
    CROSS REFERENCES
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    canSAR654658

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 706.19
    AlogP 3.95
    HBond donors 0
    HBond acceptors 15
    Atoms 85
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR654658.