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canSAR1969836
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NAMES
    SMILES
    Cc1ccc(CN(Cc2cccn2-c2nnc(N3CCCC3=O)s2)C(=O)Nc2cc(C)cc(C)c2)cc1
    InChI
    InChI=1S/C28H30N6O2S/c1-19-8-10-22(11-9-19)17-32(26(36)29-23-15-20(2)14-21(3)16-23)18-24-6-4-12-33(24)27-30-31-28(37-27)34-13-5-7-25(34)35/h4,6,8-12,14-16H,5,7,13,17-18H2,1-3H3,(H,29,36)
    MOLECULAR FORMULA
    C28H30N6O2S
    CROSS REFERENCES
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    canSAR1969836

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.22
    AlogP 5.62
    HBond donors 1
    HBond acceptors 8
    Atoms 67
    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 canSAR1969836.