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canSAR646036
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NAMES
    SMILES
    CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1.[Cl-].[Cl-].[Cl-].[Cl-].[H+].[Pt+2]
    InChI
    InChI=1S/C23H27N3O.4ClH.Pt/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;;;;;/h7-10,13-14,27H,5-6,11-12H2,1-4H3;4*1H;/q;;;;;+2/p-2
    MOLECULAR FORMULA
    C23H29Cl4N3OPt
    CROSS REFERENCES
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    canSAR646036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 698.07
    AlogP -7.45
    HBond donors 2
    HBond acceptors 4
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR646036.