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canSAR2052797
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NAMES
    SMILES
    c1csc(-c2nc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)nc(N3CCOCC3)n2)c1
    InChI
    InChI=1S/C24H21N7OS/c1-2-5-19-18(4-1)26-21(27-19)16-7-9-17(10-8-16)25-23-28-22(20-6-3-15-33-20)29-24(30-23)31-11-13-32-14-12-31/h1-10,15H,11-14H2,(H,26,27)(H,25,28,29,30)
    MOLECULAR FORMULA
    C24H21N7OS
    CROSS REFERENCES
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    canSAR2052797

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.15
    AlogP 4.72
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR2052797.