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canSAR1864306
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NAMES
    SMILES
    COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1
    InChI
    InChI=1S/C22H25N5O3S/c1-16-24-25-22(27(16)17-6-5-7-18(14-17)29-2)31-15-21(28)23-19-8-3-4-9-20(19)26-10-12-30-13-11-26/h3-9,14H,10-13,15H2,1-2H3,(H,23,28)
    MOLECULAR FORMULA
    C22H25N5O3S
    CROSS REFERENCES
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    canSAR1864306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.17
    AlogP 3.15
    HBond donors 1
    HBond acceptors 8
    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 canSAR1864306.