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canSAR1111099
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC
    InChI
    InChI=1S/C27H23ClO7S/c1-32-22-14-16(15-23(33-2)26(22)34-3)13-21-24(17-9-11-18(12-10-17)36(4,30)31)25(27(29)35-21)19-7-5-6-8-20(19)28/h5-15H,1-4H3/b21-13-
    MOLECULAR FORMULA
    C27H23ClO7S
    CROSS REFERENCES
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    canSAR1111099

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.09
    AlogP 5.28
    HBond donors 0
    HBond acceptors 7
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1111099.