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canSAR1527069
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NAMES
    SMILES
    COc1cc(CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C(CCc2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1
    InChI
    InChI=1S/C34H35N3O5S/c1-41-27-20-25(21-28(23-27)42-2)18-19-37(34(38)26-12-9-13-29(22-26)43(3,39)40)32(17-16-24-10-5-4-6-11-24)33-35-30-14-7-8-15-31(30)36-33/h4-15,20-23,32H,16-19H2,1-3H3,(H,35,36)
    MOLECULAR FORMULA
    C34H35N3O5S
    CROSS REFERENCES
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    canSAR1527069

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 597.23
    AlogP 6.04
    HBond donors 1
    HBond acceptors 8
    Atoms 78
    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 canSAR1527069.