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canSAR1619970
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NAMES
    SMILES
    COc1cccc(-n2c(SC)nnc2C2CCN(Cc3nc4ccccc4s3)CC2)c1
    InChI
    InChI=1S/C23H25N5OS2/c1-29-18-7-5-6-17(14-18)28-22(25-26-23(28)30-2)16-10-12-27(13-11-16)15-21-24-19-8-3-4-9-20(19)31-21/h3-9,14,16H,10-13,15H2,1-2H3
    MOLECULAR FORMULA
    C23H25N5OS2
    CROSS REFERENCES
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    canSAR1619970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.15
    AlogP 4.99
    HBond donors 0
    HBond acceptors 6
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1619970.