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canSAR1150327
FEATURES
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NAMES
    SMILES
    CC1CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)C1)C2c1ccccc1[N+](=O)[O-]
    InChI
    InChI=1S/C21H22N2O4/c1-11-7-14-20(17(24)9-11)19(13-5-3-4-6-16(13)23(26)27)21-15(22-14)8-12(2)10-18(21)25/h3-6,11-12,19,22H,7-10H2,1-2H3
    MOLECULAR FORMULA
    C21H22N2O4
    CROSS REFERENCES
    1150327 logo

    canSAR1150327

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 366.16
    AlogP 3.79
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1150327.