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canSAR558404
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NAMES
    SMILES
    COc1cccc(-c2csc(C(=O)NC3CCCCN(Cc4ccc(C(C)(C)C)cc4)C3)c2)c1
    InChI
    InChI=1S/C29H36N2O2S/c1-29(2,3)24-13-11-21(12-14-24)18-31-15-6-5-9-25(19-31)30-28(32)27-17-23(20-34-27)22-8-7-10-26(16-22)33-4/h7-8,10-14,16-17,20,25H,5-6,9,15,18-19H2,1-4H3,(H,30,32)
    MOLECULAR FORMULA
    C29H36N2O2S
    CROSS REFERENCES
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    canSAR558404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.25
    AlogP 6.51
    HBond donors 1
    HBond acceptors 4
    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 canSAR558404.