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canSAR654725
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NAMES
    SMILES
    COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc(Oc3cccc(-c4c(C(C)C)nc5c(Cl)cccn45)c3)c2)cc1
    InChI
    InChI=1S/C38H36ClN3O5S/c1-26(2)36-37(42-21-7-12-35(39)38(42)40-36)29-8-5-9-32(22-29)47-33-10-6-11-34(23-33)48(43,44)41(24-27-13-17-30(45-3)18-14-27)25-28-15-19-31(46-4)20-16-28/h5-23,26H,24-25H2,1-4H3
    MOLECULAR FORMULA
    C38H36ClN3O5S
    CROSS REFERENCES
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    canSAR654725

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 681.21
    AlogP 8.98
    HBond donors 0
    HBond acceptors 8
    Atoms 84
    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 canSAR654725.