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canSAR1650687
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)Cc1ccncc1
    InChI
    InChI=1S/C31H36F3N5O4/c1-20-16-39(21(2)19-40)29(41)15-23-14-26(37-30(42)36-25-6-4-24(5-7-25)31(32,33)34)8-9-27(23)43-28(20)18-38(3)17-22-10-12-35-13-11-22/h4-14,20-21,28,40H,15-19H2,1-3H3,(H2,36,37,42)/t20-,21+,28-/m0/s1
    MOLECULAR FORMULA
    C31H36F3N5O4
    CROSS REFERENCES
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    canSAR1650687

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 599.27
    AlogP 5.03
    HBond donors 3
    HBond acceptors 9
    Atoms 79
    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 canSAR1650687.