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canSAR1992852
FEATURES
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NAMES
    SMILES
    CN1/C(=C/C2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)(C)c2ccccc21
    InChI
    InChI=1S/C22H21N3O4/c1-22(2)17-6-4-5-7-18(17)23(3)19(22)12-14-13-20(26)24(21(14)27)15-8-10-16(11-9-15)25(28)29/h4-12,14H,13H2,1-3H3/b19-12+
    MOLECULAR FORMULA
    C22H21N3O4
    CROSS REFERENCES
    1992852 logo

    canSAR1992852

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.15
    AlogP 3.79
    HBond donors 0
    HBond acceptors 7
    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 canSAR1992852.