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canSAR1523079
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NAMES
    SMILES
    COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(OC)c2)cc1
    InChI
    InChI=1S/C24H25N5O3S/c1-28-13-5-7-19(28)15-22-26-27-24(29(22)18-9-11-20(31-2)12-10-18)33-16-23(30)25-17-6-4-8-21(14-17)32-3/h4-14H,15-16H2,1-3H3,(H,25,30)
    MOLECULAR FORMULA
    C24H25N5O3S
    CROSS REFERENCES
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    canSAR1523079

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.17
    AlogP 3.94
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    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 canSAR1523079.