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canSAR2089318
FEATURES
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NAMES
    SMILES
    CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3[nH]cnc3c2)[nH]1
    InChI
    InChI=1S/C22H25N7O2S/c1-23-20(30)6-4-2-3-5-16(29-22(31)19-11-24-13-32-19)21-25-10-18(28-21)14-7-8-15-17(9-14)27-12-26-15/h7-13,16H,2-6H2,1H3,(H,23,30)(H,25,28)(H,26,27)(H,29,31)/t16-/m0/s1
    MOLECULAR FORMULA
    C22H25N7O2S
    CROSS REFERENCES
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    canSAR2089318

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.18
    AlogP 3.58
    HBond donors 4
    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 canSAR2089318.