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canSAR1090212
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NAMES
    SMILES
    CC(=O)N1CCC(CN2C(=O)C3(CC(C)(C)Oc4ccc(-c5cccc(Cl)c5)cc43)N=C2N)CC1
    InChI
    InChI=1S/C27H31ClN4O3/c1-17(33)31-11-9-18(10-12-31)15-32-24(34)27(30-25(32)29)16-26(2,3)35-23-8-7-20(14-22(23)27)19-5-4-6-21(28)13-19/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H2,29,30)
    MOLECULAR FORMULA
    C27H31ClN4O3
    CROSS REFERENCES
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    canSAR1090212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.21
    AlogP 4.18
    HBond donors 2
    HBond acceptors 7
    Atoms 66
    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 canSAR1090212.