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canSAR1492754
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NAMES
    SMILES
    CC1(N)CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1
    InChI
    InChI=1S/C26H27Cl2N3O2/c1-26(29)8-6-17(7-9-26)31-23-18-10-15(16-11-20(27)25(33)21(28)12-16)4-5-22(18)30-13-19(23)24(32)14-2-3-14/h4-5,10-14,17,33H,2-3,6-9,29H2,1H3,(H,30,31)
    MOLECULAR FORMULA
    C26H27Cl2N3O2
    CROSS REFERENCES
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    canSAR1492754

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.15
    AlogP 6.58
    HBond donors 4
    HBond acceptors 5
    Atoms 60
    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 canSAR1492754.