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canSAR560838
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NAMES
    SMILES
    COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2.Cl
    InChI
    InChI=1S/C33H40ClN3O3.ClH/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32;/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36);1H
    MOLECULAR FORMULA
    C33H41Cl2N3O3
    CROSS REFERENCES
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    canSAR560838

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 597.25
    AlogP 7.17
    HBond donors 1
    HBond acceptors 6
    Atoms 82
    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 canSAR560838.