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canSAR1100314
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NAMES
    SMILES
    NC(=O)c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1
    InChI
    InChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32)
    MOLECULAR FORMULA
    C26H25N5O2S
    CROSS REFERENCES
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    canSAR1100314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.17
    AlogP 5.04
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    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 canSAR1100314.