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canSAR783140
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NAMES
    SMILES
    CC1=C(C(=O)Nc2ccc(Br)cc2)C(c2ccc(Cl)cc2Cl)N=C(SCc2cccc(Cl)c2)N1
    InChI
    InChI=1S/C25H19BrCl3N3OS/c1-14-22(24(33)31-19-8-5-16(26)6-9-19)23(20-10-7-18(28)12-21(20)29)32-25(30-14)34-13-15-3-2-4-17(27)11-15/h2-12,23H,13H2,1H3,(H,30,32)(H,31,33)
    MOLECULAR FORMULA
    C25H19BrCl3N3OS
    CROSS REFERENCES
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    canSAR783140

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.95
    AlogP 8.26
    HBond donors 2
    HBond acceptors 4
    Atoms 53
    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 canSAR783140.