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canSAR198812
FEATURES
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NAMES
    SMILES
    CO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1
    InChI
    InChI=1S/C28H35F3N4O3/c1-19-9-16-35(37)20(2)24(19)26(36)33-17-12-27(3,13-18-33)34-14-10-22(11-15-34)25(32-38-4)21-5-7-23(8-6-21)28(29,30)31/h5-9,16,22H,10-15,17-18H2,1-4H3/b32-25-
    MOLECULAR FORMULA
    C28H35F3N4O3
    CROSS REFERENCES
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    canSAR198812

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.27
    AlogP 4.71
    HBond donors 0
    HBond acceptors 7
    Atoms 73
    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 canSAR198812.