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canSAR1830444
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NAMES
    SMILES
    Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCCC(C)(N)CC1
    InChI
    InChI=1S/C21H26FN7OS/c1-21(24)8-5-10-29(11-9-21)20-15(12-25-28(20)2)26-18(30)16-17(23)31-19(27-16)13-6-3-4-7-14(13)22/h3-4,6-7,12H,5,8-11,23-24H2,1-2H3,(H,26,30)
    MOLECULAR FORMULA
    C21H26FN7OS
    CROSS REFERENCES
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    canSAR1830444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.19
    AlogP 3.22
    HBond donors 5
    HBond acceptors 8
    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 canSAR1830444.