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canSAR747481
FEATURES
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NAMES
    SMILES
    C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C23H27ClFNO2.C4H4O4/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18;5-3(6)1-2-4(7)8/h3,8-13,17H,1,4-7,14-16H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
    MOLECULAR FORMULA
    C27H31ClFNO6
    CROSS REFERENCES
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    canSAR747481

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.18
    AlogP 5.48
    HBond donors 2
    HBond acceptors 7
    Atoms 67
    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 canSAR747481.