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canSAR1592649
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NAMES
    SMILES
    Cc1ccc2ccc(C(Nc3ccccc3)c3ccc(C(C)C)cc3)c(O)c2n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C26H26N2O.C2HF3O2/c1-17(2)19-11-13-20(14-12-19)24(28-22-7-5-4-6-8-22)23-16-15-21-10-9-18(3)27-25(21)26(23)29;3-2(4,5)1(6)7/h4-17,24,28-29H,1-3H3;(H,6,7)
    MOLECULAR FORMULA
    C28H27F3N2O3
    CROSS REFERENCES
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    canSAR1592649

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.20
    AlogP 7.21
    HBond donors 3
    HBond acceptors 5
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1592649.