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canSAR561513
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NAMES
    SMILES
    CCN(CC)CCNc1ccc2c3c(nn2CCO)-c2c(O)ccc(O)c2C(=O)c13.Cl
    InChI
    InChI=1S/C22H26N4O4.ClH/c1-3-25(4-2)10-9-23-13-5-6-14-18-17(13)22(30)20-16(29)8-7-15(28)19(20)21(18)24-26(14)11-12-27;/h5-8,23,27-29H,3-4,9-12H2,1-2H3;1H
    MOLECULAR FORMULA
    C22H27ClN4O4
    CROSS REFERENCES
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    canSAR561513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.17
    AlogP 2.83
    HBond donors 4
    HBond acceptors 8
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR561513.