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canSAR1506976
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NAMES
    SMILES
    Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)NC(C)(C)C)sc3c2)n1C
    InChI
    InChI=1S/C26H30N6O3S3/c1-16-8-6-7-9-19(16)35-13-21-30-31-24(32(21)5)36-14-22(33)27-17-10-11-18-20(12-17)38-25(28-18)37-15-23(34)29-26(2,3)4/h6-12H,13-15H2,1-5H3,(H,27,33)(H,29,34)
    MOLECULAR FORMULA
    C26H30N6O3S3
    CROSS REFERENCES
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    canSAR1506976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.15
    AlogP 5.05
    HBond donors 2
    HBond acceptors 9
    Atoms 68
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1506976.