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canSAR468026
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NAMES
    SMILES
    COc1ccc(-c2cc(SC)n(-c3nc(N4CCCCC4)nc(N4CCCCC4)n3)n2)cc1OC
    InChI
    InChI=1S/C25H33N7O2S/c1-33-20-11-10-18(16-21(20)34-2)19-17-22(35-3)32(29-19)25-27-23(30-12-6-4-7-13-30)26-24(28-25)31-14-8-5-9-15-31/h10-11,16-17H,4-9,12-15H2,1-3H3
    MOLECULAR FORMULA
    C25H33N7O2S
    CROSS REFERENCES
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    canSAR468026

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.24
    AlogP 4.44
    HBond donors 0
    HBond acceptors 9
    Atoms 68
    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 canSAR468026.