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canSAR779819
FEATURES
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NAMES
    SMILES
    CCc1ccc(C2=NC(SCc3ccc(CSc4nc(-c5ccc(CC)cc5)c(C#N)c(=O)[nH]4)cc3)=NC(=O)C2C#N)cc1
    InChI
    InChI=1S/C34H28N6O2S2/c1-3-21-9-13-25(14-10-21)29-27(17-35)31(41)39-33(37-29)43-19-23-5-7-24(8-6-23)20-44-34-38-30(28(18-36)32(42)40-34)26-15-11-22(4-2)12-16-26/h5-16,27H,3-4,19-20H2,1-2H3,(H,38,40,42)
    MOLECULAR FORMULA
    C34H28N6O2S2
    CROSS REFERENCES
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    canSAR779819

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.17
    AlogP 6.48
    HBond donors 1
    HBond acceptors 8
    Atoms 72
    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 canSAR779819.