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canSAR1636694
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NAMES
    SMILES
    Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)N1CCCC1
    InChI
    InChI=1S/C21H26N6O3S/c1-16-19(21(24-15-23-16)26-9-11-30-12-10-26)6-5-18-13-20(17(2)22-14-18)25-31(28,29)27-7-3-4-8-27/h13-15,25H,3-4,7-12H2,1-2H3
    MOLECULAR FORMULA
    C21H26N6O3S
    CROSS REFERENCES
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    canSAR1636694

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.18
    AlogP 1.48
    HBond donors 1
    HBond acceptors 9
    Atoms 57
    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 canSAR1636694.