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canSAR1270492
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NAMES
    SMILES
    COc1ccc(/C=C2\CNC/C(=C\c3ccc(OC)c(O)c3)C2=O)cc1O
    InChI
    InChI=1S/C21H21NO5/c1-26-19-5-3-13(9-17(19)23)7-15-11-22-12-16(21(15)25)8-14-4-6-20(27-2)18(24)10-14/h3-10,22-24H,11-12H2,1-2H3/b15-7+,16-8+
    MOLECULAR FORMULA
    C21H21NO5
    CROSS REFERENCES
    1270492 logo

    canSAR1270492

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.14
    AlogP 2.75
    HBond donors 3
    HBond acceptors 6
    Atoms 48
    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 canSAR1270492.