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canSAR2050231
FEATURES
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NAMES
    SMILES
    COc1ccc(-n2ncc(C(=O)Nc3ccc4c(C(=O)N[C@@H](C)C(N)=O)[nH]nc4c3)c2C(F)(F)F)cc1
    InChI
    InChI=1S/C23H20F3N7O4/c1-11(20(27)34)29-22(36)18-15-8-3-12(9-17(15)31-32-18)30-21(35)16-10-28-33(19(16)23(24,25)26)13-4-6-14(37-2)7-5-13/h3-11H,1-2H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,32)/t11-/m0/s1
    MOLECULAR FORMULA
    C23H20F3N7O4
    CROSS REFERENCES
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    canSAR2050231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.15
    AlogP 2.63
    HBond donors 5
    HBond acceptors 11
    Atoms 57
    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 canSAR2050231.