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canSAR1060878
FEATURES
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NAMES
    SMILES
    COc1cc2cc(C(=O)N3CC(COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C(=O)NCCO)ccc43)[nH]c2c(OC)c1OC
    InChI
    InChI=1S/C35H34N4O11S/c1-47-29-15-22-14-26(37-31(22)33(49-3)32(29)48-2)35(42)38-17-23(18-50-51(45,46)19-20-7-5-4-6-8-20)30-24-10-9-21(34(41)36-11-12-40)13-25(24)27(39(43)44)16-28(30)38/h4-10,13-16,23,37,40H,11-12,17-19H2,1-3H3,(H,36,41)
    MOLECULAR FORMULA
    C35H34N4O11S
    CROSS REFERENCES
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    canSAR1060878

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 718.19
    AlogP 4.27
    HBond donors 3
    HBond acceptors 15
    Atoms 85
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1060878.