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canSAR837047
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NAMES
    SMILES
    COCC(=O)Nc1cccc(-c2cn3ccnc3c(Nc3ccc(OC)cc3)n2)c1
    InChI
    InChI=1S/C22H21N5O3/c1-29-14-20(28)24-17-5-3-4-15(12-17)19-13-27-11-10-23-22(27)21(26-19)25-16-6-8-18(30-2)9-7-16/h3-13H,14H2,1-2H3,(H,24,28)(H,25,26)
    MOLECULAR FORMULA
    C22H21N5O3
    CROSS REFERENCES
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    canSAR837047

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.16
    AlogP 3.73
    HBond donors 2
    HBond acceptors 8
    Atoms 51
    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 canSAR837047.