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canSAR1117895
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NAMES
    SMILES
    Cc1nc(-c2ccccn2)nc(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1Cl
    InChI
    InChI=1S/C21H19Cl2F3N6/c1-12-17(23)19(31-18(29-12)16-4-2-3-7-27-16)30-14-5-8-32(9-6-14)20-15(22)10-13(11-28-20)21(24,25)26/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H,29,30,31)
    MOLECULAR FORMULA
    C21H19Cl2F3N6
    CROSS REFERENCES
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    canSAR1117895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.10
    AlogP 5.65
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1117895.