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canSAR2051164
FEATURES
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NAMES
    SMILES
    O=C1CCc2c(Oc3ccc4c(c3)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)CC4)ccnc2N1
    InChI
    InChI=1S/C26H22F3N3O3/c27-26(28,29)18-3-1-2-16(12-18)25(34)31-19-6-4-15-5-7-20(14-17(15)13-19)35-22-10-11-30-24-21(22)8-9-23(33)32-24/h1-3,5,7,10-12,14,19H,4,6,8-9,13H2,(H,31,34)(H,30,32,33)/t19-/m1/s1
    MOLECULAR FORMULA
    C26H22F3N3O3
    CROSS REFERENCES
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    canSAR2051164

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.16
    AlogP 5.06
    HBond donors 2
    HBond acceptors 6
    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 canSAR2051164.