canSAR735371
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@@H](c3ccccc3)[C@H]2C(=O)c2ccc(Br)cc2)cc1
    InChI
    InChI=1S/C25H20BrN3O3S/c1-16-7-13-20(14-8-16)33(31,32)29-23(24(30)18-9-11-19(26)12-10-18)22(21(15-27)25(29)28)17-5-3-2-4-6-17/h2-14,22-23H,28H2,1H3/t22-,23+/m1/s1
    MOLECULAR FORMULA
    C25H20BrN3O3S
    CROSS REFERENCES
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    canSAR735371
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.04
    AlogP4.49
    HBond donors2
    HBond acceptors6
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR735371.