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canSAR1131779
FEATURES
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NAMES
    SMILES
    CNC(=O)c1cc(O[C@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1
    InChI
    InChI=1S/C21H22ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)(H2,28,29,31)/t12-,14+
    MOLECULAR FORMULA
    C21H22ClF3N4O3
    CROSS REFERENCES
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    canSAR1131779

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.13
    AlogP 4.63
    HBond donors 3
    HBond acceptors 7
    Atoms 54
    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 canSAR1131779.