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canSAR2047958
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NAMES
    SMILES
    Clc1ccc(Cl)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C21H22Cl2N6.C2HF3O2/c22-15-1-4-17(23)14(11-15)13-28-7-9-29(10-8-28)21-20(25-16-2-3-16)26-18-5-6-24-12-19(18)27-21;3-2(4,5)1(6)7/h1,4-6,11-12,16H,2-3,7-10,13H2,(H,25,26);(H,6,7)
    MOLECULAR FORMULA
    C23H23Cl2F3N6O2
    CROSS REFERENCES
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    canSAR2047958

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.12
    AlogP 4.86
    HBond donors 2
    HBond acceptors 8
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2047958.