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canSAR845039
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NAMES
    SMILES
    COc1ccc(C2NC(c3ccc(OC)cc3)C3CCCC2C3=N/N=C2/NC(=O)CS2)cc1
    InChI
    InChI=1S/C25H28N4O3S/c1-31-17-10-6-15(7-11-17)22-19-4-3-5-20(24(19)28-29-25-26-21(30)14-33-25)23(27-22)16-8-12-18(32-2)13-9-16/h6-13,19-20,22-23,27H,3-5,14H2,1-2H3,(H,26,29,30)
    MOLECULAR FORMULA
    C25H28N4O3S
    CROSS REFERENCES
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    canSAR845039

    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 canSAR845039.