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canSAR1768469
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NAMES
    SMILES
    COC(=O)N/N=C/c1cn(CCCOc2ccc(C)cc2)c2ccccc12
    InChI
    InChI=1S/C21H23N3O3/c1-16-8-10-18(11-9-16)27-13-5-12-24-15-17(14-22-23-21(25)26-2)19-6-3-4-7-20(19)24/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,23,25)/b22-14+
    MOLECULAR FORMULA
    C21H23N3O3
    CROSS REFERENCES
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    canSAR1768469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 365.17
    AlogP 4.11
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1768469.