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canSAR1130901
FEATURES
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NAMES
    SMILES
    COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccc(CCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)n1
    InChI
    InChI=1S/C33H34ClN7O7S/c1-39-16-18-40(19-17-39)24-12-15-28(29(21-24)45-2)36-33-35-22-27(34)30(37-33)47-25-13-10-23(11-14-25)7-6-20-46-31-32(41(42)48-38-31)49(43,44)26-8-4-3-5-9-26/h3-5,8-15,21-22H,6-7,16-20H2,1-2H3,(H,35,36,37)
    MOLECULAR FORMULA
    C33H34ClN7O7S
    CROSS REFERENCES
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    canSAR1130901

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 707.19
    AlogP 4.89
    HBond donors 1
    HBond acceptors 14
    Atoms 83
    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 canSAR1130901.