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canSAR1591085
FEATURES
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NAMES
    SMILES
    CCCC(C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C27H35N5O.C2HF3O2/c1-4-11-20(2)29-27-30-21(3)18-25(32-27)31-24(19-23-14-9-6-10-15-23)26(33)28-17-16-22-12-7-5-8-13-22;3-2(4,5)1(6)7/h5-10,12-15,18,20,24H,4,11,16-17,19H2,1-3H3,(H,28,33)(H2,29,30,31,32);(H,6,7)
    MOLECULAR FORMULA
    C29H36F3N5O3
    CROSS REFERENCES
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    canSAR1591085

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 559.28
    AlogP 5.40
    HBond donors 4
    HBond acceptors 8
    Atoms 76
    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 canSAR1591085.