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canSAR993993
FEATURES
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NAMES
    SMILES
    O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1
    InChI
    InChI=1S/C25H29F3N4O3/c26-25(27,28)19-3-1-2-17(14-19)23(34)30-15-22(33)31-20-8-13-32(16-20)21-4-9-24(35,10-5-21)18-6-11-29-12-7-18/h1-3,6-7,11-12,14,20-21,35H,4-5,8-10,13,15-16H2,(H,30,34)(H,31,33)/t20-,21-,24-/m1/s1
    MOLECULAR FORMULA
    C25H29F3N4O3
    CROSS REFERENCES
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    canSAR993993

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.22
    AlogP 2.85
    HBond donors 3
    HBond acceptors 7
    Atoms 64
    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 canSAR993993.