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canSAR783933
FEATURES
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NAMES
    SMILES
    CCN([C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21)S(=O)(=O)c1ccccc1[N+](=O)[O-]
    InChI
    InChI=1S/C28H30N2O8S2/c1-6-29(40(34,35)25-10-8-7-9-21(25)30(32)33)20-13-11-17-15-23(36-2)27(37-3)28(38-4)26(17)18-12-14-24(39-5)22(31)16-19(18)20/h7-10,12,14-16,20H,6,11,13H2,1-5H3/t20-/m0/s1
    MOLECULAR FORMULA
    C28H30N2O8S2
    CROSS REFERENCES
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    canSAR783933

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.14
    AlogP 5.07
    HBond donors 0
    HBond acceptors 10
    Atoms 70
    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 canSAR783933.