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canSAR1126999
FEATURES
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NAMES
    SMILES
    CCCCCCCCOc1ccc(/C=C/C(=O)c2ccc(C(=O)O)cc2OCC(=O)O)cc1
    InChI
    InChI=1S/C26H30O7/c1-2-3-4-5-6-7-16-32-21-12-8-19(9-13-21)10-15-23(27)22-14-11-20(26(30)31)17-24(22)33-18-25(28)29/h8-15,17H,2-7,16,18H2,1H3,(H,28,29)(H,30,31)/b15-10+
    MOLECULAR FORMULA
    C26H30O7
    CROSS REFERENCES
    1126999 logo

    canSAR1126999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.20
    AlogP 5.48
    HBond donors 2
    HBond acceptors 7
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126999.