canSAR1583857
FEATURES
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NAMES
    SMILES
    CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2Oc2ccccc2)ccc1OC
    InChI
    InChI=1S/C45H48ClN5O6S/c1-3-50-23-9-11-36(50)30-47-44(52)41-29-38(20-22-42(41)56-2)58(54,55)48-45(53)40-21-19-35(28-43(40)57-37-12-5-4-6-13-37)51-26-24-49(25-27-51)31-33-10-7-8-14-39(33)32-15-17-34(46)18-16-32/h4-8,10,12-22,28-29,36H,3,9,11,23-27,30-31H2,1-2H3,(H,47,52)(H,48,53)
    MOLECULAR FORMULA
    C45H48ClN5O6S
    CROSS REFERENCES
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    canSAR1583857
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight821.30
    AlogP7.46
    HBond donors2
    HBond acceptors11
    Atoms106
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1583857.