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canSAR1106975
FEATURES
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NAMES
    SMILES
    O=C(O)COc1cc(C(=O)O)ccc1C(=O)/C=C/c1cccc(OCCCCOc2ccc(Cl)cc2)c1
    InChI
    InChI=1S/C28H25ClO8/c29-21-8-10-22(11-9-21)35-14-1-2-15-36-23-5-3-4-19(16-23)6-13-25(30)24-12-7-20(28(33)34)17-26(24)37-18-27(31)32/h3-13,16-17H,1-2,14-15,18H2,(H,31,32)(H,33,34)/b13-6+
    MOLECULAR FORMULA
    C28H25ClO8
    CROSS REFERENCES
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    canSAR1106975

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.12
    AlogP 5.64
    HBond donors 2
    HBond acceptors 8
    Atoms 62
    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 canSAR1106975.