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canSAR2050878
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NAMES
    SMILES
    CSc1ccc(-c2cc(CNC34CC5CCC(CC(C5)C3)C4)no2)cc1
    InChI
    InChI=1S/C22H28N2OS/c1-26-20-6-4-18(5-7-20)21-10-19(24-25-21)14-23-22-11-15-2-3-16(12-22)9-17(8-15)13-22/h4-7,10,15-17,23H,2-3,8-9,11-14H2,1H3
    MOLECULAR FORMULA
    C22H28N2OS
    CROSS REFERENCES
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    canSAR2050878

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.19
    AlogP 5.51
    HBond donors 1
    HBond acceptors 3
    Atoms 54
    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 canSAR2050878.