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canSAR1112802
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NAMES
    SMILES
    CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1-3
    InChI
    InChI=1S/C27H23F3N2O2/c1-26(2,3)17-7-11-22-19(13-17)20-14-24(33)31-23-10-6-16(12-21(23)25(20)32-22)15-4-8-18(9-5-15)34-27(28,29)30/h4-13,32H,14H2,1-3H3,(H,31,33)
    MOLECULAR FORMULA
    C27H23F3N2O2
    CROSS REFERENCES
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    canSAR1112802

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.17
    AlogP 7.19
    HBond donors 2
    HBond acceptors 4
    Atoms 57
    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 canSAR1112802.