canSAR817222
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc(Br)cc2)N=C(SCc2ccc(Cl)cc2)N1
    InChI
    InChI=1S/C25H20BrClN4O3S/c1-15-22(24(32)29-20-10-12-21(13-11-20)31(33)34)23(17-4-6-18(26)7-5-17)30-25(28-15)35-14-16-2-8-19(27)9-3-16/h2-13,23H,14H2,1H3,(H,28,30)(H,29,32)
    MOLECULAR FORMULA
    C25H20BrClN4O3S
    CROSS REFERENCES
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    canSAR817222
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight570.01
    AlogP6.86
    HBond donors2
    HBond acceptors7
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR817222.