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canSAR2052104
FEATURES
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NAMES
    SMILES
    COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1OC
    InChI
    InChI=1S/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/m0/s1
    MOLECULAR FORMULA
    C29H39ClN4O4
    CROSS REFERENCES
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    canSAR2052104

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.27
    AlogP 3.62
    HBond donors 3
    HBond acceptors 8
    Atoms 77
    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 canSAR2052104.