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canSAR2280850
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NAMES
    SMILES
    CC(C)(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
    InChI
    InChI=1S/C27H24O4S/c1-27(2,3)22-7-5-4-6-20(22)26-25(21-14-11-18(28)16-23(21)32-26)31-19-12-8-17(9-13-19)10-15-24(29)30/h4-16,28H,1-3H3,(H,29,30)/b15-10+
    MOLECULAR FORMULA
    C27H24O4S
    CROSS REFERENCES
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    canSAR2280850

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.14
    AlogP 7.46
    HBond donors 2
    HBond acceptors 4
    Atoms 56
    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 canSAR2280850.