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canSAR78292
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NAMES
    SMILES
    c1csc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)c1
    InChI
    InChI=1S/C21H24N2S/c1-2-9-18-17(8-1)21-19(22-18)14-15-10-11-20(21)23(15)12-4-3-6-16-7-5-13-24-16/h1-2,5,7-9,13,15,20,22H,3-4,6,10-12,14H2
    MOLECULAR FORMULA
    C21H24N2S
    CROSS REFERENCES
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    canSAR78292

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.17
    AlogP 5.31
    HBond donors 1
    HBond acceptors 2
    Atoms 48
    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 canSAR78292.