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canSAR828539
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NAMES
    SMILES
    COC1(CC2CCCCC2)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(CCN(C)C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1
    InChI
    InChI=1S/C38H51N5O6S2/c1-41(2)23-20-31(28-50-33-12-8-5-9-13-33)39-35-19-18-34(26-36(35)43(45)46)51(47,48)40-37(44)30-14-16-32(17-15-30)42-24-21-38(49-3,22-25-42)27-29-10-6-4-7-11-29/h5,8-9,12-19,26,29,31,39H,4,6-7,10-11,20-25,27-28H2,1-3H3,(H,40,44)
    MOLECULAR FORMULA
    C38H51N5O6S2
    CROSS REFERENCES
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    canSAR828539

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 737.33
    AlogP 7.19
    HBond donors 2
    HBond acceptors 11
    Atoms 102
    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 canSAR828539.