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canSAR1648537
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NAMES
    SMILES
    Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2
    InChI
    InChI=1S/C20H20N4O2S/c1-11-14-9-26-20(2,3)7-13(14)15-16-17(27-19(15)24-11)18(23-10-22-16)21-8-12-5-4-6-25-12/h4-6,10H,7-9H2,1-3H3,(H,21,22,23)
    MOLECULAR FORMULA
    C20H20N4O2S
    CROSS REFERENCES
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    canSAR1648537

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.13
    AlogP 4.60
    HBond donors 1
    HBond acceptors 6
    Atoms 47
    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 canSAR1648537.