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canSAR1991894
FEATURES
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NAMES
    SMILES
    CCc1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
    InChI
    InChI=1S/C21H24N4O5/c1-2-16-3-6-19(7-4-16)30-15-21(26)23-22-14-17-13-18(25(27)28)5-8-20(17)24-9-11-29-12-10-24/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,26)
    MOLECULAR FORMULA
    C21H24N4O5
    CROSS REFERENCES
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    canSAR1991894

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.17
    AlogP 2.52
    HBond donors 1
    HBond acceptors 9
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1991894.