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canSAR1442368
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NAMES
    SMILES
    COc1ccc(/C=C2\CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1O
    InChI
    InChI=1S/C23H21NO4/c1-13-6-8-18-17(10-13)21(23(26)27)16-5-3-4-15(22(16)24-18)11-14-7-9-20(28-2)19(25)12-14/h6-12,25H,3-5H2,1-2H3,(H,26,27)/b15-11+
    MOLECULAR FORMULA
    C23H21NO4
    CROSS REFERENCES
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    canSAR1442368

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.15
    AlogP 4.83
    HBond donors 2
    HBond acceptors 5
    Atoms 49
    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 canSAR1442368.