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canSAR2084535
FEATURES
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NAMES
    SMILES
    CCCCNC(C1=C(O)C(=O)c2ccccc2C1=O)c1ccccn1
    InChI
    InChI=1S/C20H20N2O3/c1-2-3-11-22-17(15-10-6-7-12-21-15)16-18(23)13-8-4-5-9-14(13)19(24)20(16)25/h4-10,12,17,22,25H,2-3,11H2,1H3
    MOLECULAR FORMULA
    C20H20N2O3
    CROSS REFERENCES
    2084535 logo

    canSAR2084535

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.15
    AlogP 3.40
    HBond donors 2
    HBond acceptors 5
    Atoms 45
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2084535.