canSAR824137
FEATURES
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NAMES
    SMILES
    OC(COc1ccccc1)CN(CCCN1CCOCC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
    InChI
    InChI=1S/C33H41N5O3S/c39-28(23-41-29-10-5-2-6-11-29)22-38(15-7-14-36-18-20-40-21-19-36)27-12-16-37(17-13-27)32-31-30(26-8-3-1-4-9-26)24-42-33(31)35-25-34-32/h1-6,8-11,24-25,27-28,39H,7,12-23H2
    MOLECULAR FORMULA
    C33H41N5O3S
    CROSS REFERENCES
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    canSAR824137
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight587.29
    AlogP4.79
    HBond donors1
    HBond acceptors8
    Atoms83
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824137.