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canSAR1207846
FEATURES
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NAMES
    SMILES
    COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(O)c1
    InChI
    InChI=1S/C24H22N2O6/c1-13(27)20-21(17-8-7-14(11-19(17)28)24(31)32-2)26(23(30)22(20)29)10-9-15-12-25-18-6-4-3-5-16(15)18/h3-8,11-12,21,25,28-29H,9-10H2,1-2H3
    MOLECULAR FORMULA
    C24H22N2O6
    CROSS REFERENCES
    1207846 logo

    canSAR1207846

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.15
    AlogP 3.19
    HBond donors 3
    HBond acceptors 8
    Atoms 54
    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 canSAR1207846.