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canSAR1634716
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NAMES
    SMILES
    CCC(OCC(F)(F)F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1
    InChI
    InChI=1S/C26H28ClF3N6O3/c1-3-20(38-13-26(28,29)30)24-33-18-9-19(23-34-25(37)39-35-23)32-21(16-8-17(27)11-31-10-16)22(18)36(24)12-15-6-4-14(2)5-7-15/h8-11,14-15,20H,3-7,12-13H2,1-2H3,(H,34,35,37)/t14-,15-,20?
    MOLECULAR FORMULA
    C26H28ClF3N6O3
    CROSS REFERENCES
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    canSAR1634716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.19
    AlogP 6.35
    HBond donors 1
    HBond acceptors 9
    Atoms 67
    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 canSAR1634716.