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canSAR1514064
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NAMES
    SMILES
    CC(C)c1cc(NC[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n[nH]1
    InChI
    InChI=1S/C21H26ClF3N4O/c1-12(2)18-10-19(29-28-18)26-11-13-3-6-15(7-4-13)27-20(30)16-9-14(21(23,24)25)5-8-17(16)22/h5,8-10,12-13,15H,3-4,6-7,11H2,1-2H3,(H,27,30)(H2,26,28,29)/t13-,15-
    MOLECULAR FORMULA
    C21H26ClF3N4O
    CROSS REFERENCES
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    canSAR1514064

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.17
    AlogP 5.61
    HBond donors 3
    HBond acceptors 5
    Atoms 56
    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 canSAR1514064.