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canSAR652636
FEATURES
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NAMES
    SMILES
    CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc3ncccc3c2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
    InChI
    InChI=1S/C27H26F4N4O/c1-25(2,28)15-22(24(36)35-26(16-32)11-12-26)34-23(27(29,30)31)18-7-5-17(6-8-18)19-9-10-21-20(14-19)4-3-13-33-21/h3-10,13-14,22-23,34H,11-12,15H2,1-2H3,(H,35,36)/t22-,23-/m0/s1
    MOLECULAR FORMULA
    C27H26F4N4O
    CROSS REFERENCES
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    canSAR652636

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.20
    AlogP 5.77
    HBond donors 2
    HBond acceptors 5
    Atoms 62
    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 canSAR652636.