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canSAR1490260
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NAMES
    SMILES
    COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)c1
    InChI
    InChI=1S/C27H31N3O6S/c1-18-5-7-20(8-6-18)9-11-25-26(19(2)29-36-25)37(32,33)30-15-13-21(14-16-30)27(31)28-23-17-22(34-3)10-12-24(23)35-4/h5-12,17,21H,13-16H2,1-4H3,(H,28,31)/b11-9+
    MOLECULAR FORMULA
    C27H31N3O6S
    CROSS REFERENCES
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    canSAR1490260

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.19
    AlogP 4.52
    HBond donors 1
    HBond acceptors 9
    Atoms 68
    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 canSAR1490260.