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canSAR744144
FEATURES
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NAMES
    SMILES
    NCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2c(Cl)c(Cl)ccc12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H15BrCl2N4O.C2HF3O2/c21-10-1-4-16-12(7-10)14(9-26-16)17-8-13(20(28)25-6-5-24)11-2-3-15(22)18(23)19(11)27-17;3-2(4,5)1(6)7/h1-4,7-9,26H,5-6,24H2,(H,25,28);(H,6,7)
    MOLECULAR FORMULA
    C22H16BrCl2F3N4O3
    CROSS REFERENCES
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    canSAR744144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.97
    AlogP 5.77
    HBond donors 5
    HBond acceptors 7
    Atoms 51
    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 canSAR744144.