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canSAR1533925
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NAMES
    SMILES
    COc1ccccc1N1CC=[N+](N[CH-]c2ccc(Cl)c([N+](=O)[O-])c2)CC1
    InChI
    InChI=1S/C18H19ClN4O3/c1-26-18-5-3-2-4-16(18)21-8-10-22(11-9-21)20-13-14-6-7-15(19)17(12-14)23(24)25/h2-7,10,12-13,20H,8-9,11H2,1H3
    MOLECULAR FORMULA
    C18H19ClN4O3
    CROSS REFERENCES
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    canSAR1533925

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.11
    AlogP 2.87
    HBond donors 1
    HBond acceptors 7
    Atoms 45
    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 canSAR1533925.