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canSAR1409444
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NAMES
    SMILES
    C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(C(C)(C)C)cc1
    InChI
    InChI=1S/C18H23N5O3/c1-12(11-22-13(2)10-16(21-22)23(25)26)19-20-17(24)14-6-8-15(9-7-14)18(3,4)5/h6-10H,11H2,1-5H3,(H,20,24)/b19-12+
    MOLECULAR FORMULA
    C18H23N5O3
    CROSS REFERENCES
    1409444 logo

    canSAR1409444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 357.18
    AlogP 3.20
    HBond donors 1
    HBond acceptors 8
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1409444.