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canSAR1016390
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)(c3ccnnc3)CC2)C1
    InChI
    InChI=1S/C24H28F3N5O3/c25-24(26,27)17-3-1-2-16(12-17)22(34)28-14-21(33)31-19-7-11-32(15-19)20-4-8-23(35,9-5-20)18-6-10-29-30-13-18/h1-3,6,10,12-13,19-20,35H,4-5,7-9,11,14-15H2,(H,28,34)(H,31,33)/t19-,20-,23+/m1/s1
    MOLECULAR FORMULA
    C24H28F3N5O3
    CROSS REFERENCES
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    canSAR1016390

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.21
    AlogP 2.25
    HBond donors 3
    HBond acceptors 8
    Atoms 63
    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 canSAR1016390.