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canSAR668857
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NAMES
    SMILES
    CCCCc1nc(Cl)c(C2CC(c3cc(C)cc(Br)c3O)=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1
    InChI
    InChI=1S/C26H24BrCl2N5OS/c1-3-4-5-22-31-23(25(29)32-22)21-12-19(17-10-14(2)11-18(27)24(17)35)33-34(21)26-30-20(13-36-26)15-6-8-16(28)9-7-15/h6-11,13,21,35H,3-5,12H2,1-2H3,(H,31,32)
    MOLECULAR FORMULA
    C26H24BrCl2N5OS
    CROSS REFERENCES
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    canSAR668857

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.03
    AlogP 8.31
    HBond donors 2
    HBond acceptors 6
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR668857.