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canSAR1157468
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NAMES
    SMILES
    CN(C)c1ccc(/C=C/C(=C2C(=O)NC(=O)NC2=O)c2nc3ccccc3[nH]2)cc1
    InChI
    InChI=1S/C22H19N5O3/c1-27(2)14-10-7-13(8-11-14)9-12-15(18-20(28)25-22(30)26-21(18)29)19-23-16-5-3-4-6-17(16)24-19/h3-12H,1-2H3,(H,23,24)(H2,25,26,28,29,30)/b12-9+
    MOLECULAR FORMULA
    C22H19N5O3
    CROSS REFERENCES
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    canSAR1157468

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.15
    AlogP 2.46
    HBond donors 3
    HBond acceptors 8
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1157468.