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canSAR793083
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NAMES
    SMILES
    COc1cccc(C2NC(c3cccc(OC)c3)C3CCCC2C3=N/N=C2/NC(=O)CS2)c1
    InChI
    InChI=1S/C25H28N4O3S/c1-31-17-8-3-6-15(12-17)22-19-10-5-11-20(24(19)28-29-25-26-21(30)14-33-25)23(27-22)16-7-4-9-18(13-16)32-2/h3-4,6-9,12-13,19-20,22-23,27H,5,10-11,14H2,1-2H3,(H,26,29,30)
    MOLECULAR FORMULA
    C25H28N4O3S
    CROSS REFERENCES
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    canSAR793083

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.19
    AlogP 4.08
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR793083.