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canSAR144241
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NAMES
    SMILES
    COc1ccc(Nc2nnc(SCC3CCCCC3)[nH]2)cc1
    InChI
    InChI=1S/C16H22N4OS/c1-21-14-9-7-13(8-10-14)17-15-18-16(20-19-15)22-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H2,17,18,19,20)
    MOLECULAR FORMULA
    C16H22N4OS
    CROSS REFERENCES
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    canSAR144241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 318.15
    AlogP 4.23
    HBond donors 2
    HBond acceptors 5
    Atoms 44
    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 canSAR144241.