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canSAR1504708
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NAMES
    SMILES
    O=C(N/N=C/c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1)c1cccnc1
    InChI
    InChI=1S/C21H24N6O5/c28-21(16-2-1-3-22-14-16)24-23-15-17-12-20(27(29)30)19(26-6-10-32-11-7-26)13-18(17)25-4-8-31-9-5-25/h1-3,12-15H,4-11H2,(H,24,28)/b23-15+
    MOLECULAR FORMULA
    C21H24N6O5
    CROSS REFERENCES
    1504708 logo

    canSAR1504708

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.18
    AlogP 1.43
    HBond donors 1
    HBond acceptors 11
    Atoms 56
    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 canSAR1504708.