canSAR2255058
FEATURES
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NAMES
    SMILES
    CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(/C=C/C(=O)O)cc1
    InChI
    InChI=1S/C26H22O4S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-10-18(27)15-23(22)31-26)30-19-11-7-17(8-12-19)9-14-24(28)29/h3-16,27H,1-2H3,(H,28,29)/b14-9+
    MOLECULAR FORMULA
    C26H22O4S
    CROSS REFERENCES
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    canSAR2255058
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight430.12
    AlogP7.29
    HBond donors2
    HBond acceptors4
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255058.