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canSAR227780
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NAMES
    SMILES
    CC(C)(O)Cn1/c(=N/C(=O)c2ccc(-c3cn[nH]c3)s2)[nH]c2cc(CN3CCCCC3)ccc21
    InChI
    InChI=1S/C25H30N6O2S/c1-25(2,33)16-31-20-7-6-17(15-30-10-4-3-5-11-30)12-19(20)28-24(31)29-23(32)22-9-8-21(34-22)18-13-26-27-14-18/h6-9,12-14,33H,3-5,10-11,15-16H2,1-2H3,(H,26,27)(H,28,29,32)
    MOLECULAR FORMULA
    C25H30N6O2S
    CROSS REFERENCES
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    canSAR227780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.22
    AlogP 3.92
    HBond donors 3
    HBond acceptors 8
    Atoms 64
    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 canSAR227780.