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canSAR1981920
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NAMES
    SMILES
    C=Cc1ccc(Cn2c(C(=O)O)c(CNCc3cccs3)c3ccc(C)cc32)cc1
    InChI
    InChI=1S/C25H24N2O2S/c1-3-18-7-9-19(10-8-18)16-27-23-13-17(2)6-11-21(23)22(24(27)25(28)29)15-26-14-20-5-4-12-30-20/h3-13,26H,1,14-16H2,2H3,(H,28,29)
    MOLECULAR FORMULA
    C25H24N2O2S
    CROSS REFERENCES
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    canSAR1981920

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.16
    AlogP 5.69
    HBond donors 2
    HBond acceptors 4
    Atoms 54
    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 canSAR1981920.