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canSAR1496705
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NAMES
    SMILES
    CNC(=O)c1ccc(Nc2ncc3c(n2)CCN(c2cc(NC(=O)c4cc(C(F)(F)F)ccn4)ccc2Cl)C3)cc1
    InChI
    InChI=1S/C28H23ClF3N7O2/c1-33-25(40)16-2-4-19(5-3-16)37-27-35-14-17-15-39(11-9-22(17)38-27)24-13-20(6-7-21(24)29)36-26(41)23-12-18(8-10-34-23)28(30,31)32/h2-8,10,12-14H,9,11,15H2,1H3,(H,33,40)(H,36,41)(H,35,37,38)
    MOLECULAR FORMULA
    C28H23ClF3N7O2
    CROSS REFERENCES
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    canSAR1496705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.16
    AlogP 5.46
    HBond donors 3
    HBond acceptors 9
    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 canSAR1496705.