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canSAR92470
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NAMES
    SMILES
    Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)NO)s1
    InChI
    InChI=1S/C21H24N6O3S/c1-14-11-25-20(23-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)24-12-16-7-8-17(31-16)19(22)26-30/h2-8,11,30H,9-10,12-13H2,1H3,(H2,22,26)(H,23,25)(H,24,28)
    MOLECULAR FORMULA
    C21H24N6O3S
    CROSS REFERENCES
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    canSAR92470

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.16
    AlogP 1.89
    HBond donors 5
    HBond acceptors 9
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR92470.