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canSAR1106050
FEATURES
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NAMES
    SMILES
    CCCNC(=O)c1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1
    InChI
    InChI=1S/C29H31N3O3/c1-4-8-26-31-27-19(3)16-22(28(33)30-15-5-2)17-25(27)32(26)18-20-11-13-21(14-12-20)23-9-6-7-10-24(23)29(34)35/h6-7,9-14,16-17H,4-5,8,15,18H2,1-3H3,(H,30,33)(H,34,35)
    MOLECULAR FORMULA
    C29H31N3O3
    CROSS REFERENCES
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    canSAR1106050

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.24
    AlogP 5.85
    HBond donors 2
    HBond acceptors 6
    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 canSAR1106050.