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canSAR2017549
FEATURES
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NAMES
    SMILES
    COc1cc(CN2CCC(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1O
    InChI
    InChI=1S/C20H24N2O4/c1-26-19-13-17(12-18(20(19)23)22(24)25)14-21-9-7-16(8-10-21)11-15-5-3-2-4-6-15/h2-6,12-13,16,23H,7-11,14H2,1H3
    MOLECULAR FORMULA
    C20H24N2O4
    CROSS REFERENCES
    2017549 logo

    canSAR2017549

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.17
    AlogP 3.76
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2017549.