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canSAR1133719
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NAMES
    SMILES
    CCN(CC)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
    InChI
    InChI=1S/C31H32N2O4S/c1-3-32(4-2)14-19-36-26-13-12-22(31-29(26)24-8-5-6-11-27(24)38-31)21-9-7-10-23-25(34)20-28(37-30(21)23)33-15-17-35-18-16-33/h5-13,20H,3-4,14-19H2,1-2H3
    MOLECULAR FORMULA
    C31H32N2O4S
    CROSS REFERENCES
    1133719 logo

    canSAR1133719

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.21
    AlogP 6.39
    HBond donors 0
    HBond acceptors 6
    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 canSAR1133719.