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canSAR1100377
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)OCc2ccccc2)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1
    InChI
    InChI=1S/C27H23F3N2O3/c1-16-13-20(18(3)32(16)23-12-8-7-11-21(23)27(28,29)30)14-22-25(33)24(17(2)31-22)26(34)35-15-19-9-5-4-6-10-19/h4-14,31H,15H2,1-3H3/b22-14+
    MOLECULAR FORMULA
    C27H23F3N2O3
    CROSS REFERENCES
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    canSAR1100377

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.17
    AlogP 5.64
    HBond donors 1
    HBond acceptors 5
    Atoms 58
    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 canSAR1100377.