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canSAR1125681
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NAMES
    SMILES
    C=Cc1cccc(-c2cc3c(cc2C(=O)O)OCO3)c1N(C)CCCC
    InChI
    InChI=1S/C21H23NO4/c1-4-6-10-22(3)20-14(5-2)8-7-9-15(20)16-11-18-19(26-13-25-18)12-17(16)21(23)24/h5,7-9,11-12H,2,4,6,10,13H2,1,3H3,(H,23,24)
    MOLECULAR FORMULA
    C21H23NO4
    CROSS REFERENCES
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    canSAR1125681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.16
    AlogP 4.66
    HBond donors 1
    HBond acceptors 5
    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 canSAR1125681.