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canSAR558723
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NAMES
    SMILES
    C[C@@H](O[C@H]1CC[C@@H](N(C)Cc2n[nH]c(O)n2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
    InChI
    InChI=1S/C25H25F7N4O2.ClH/c1-13(15-9-16(24(27,28)29)11-17(10-15)25(30,31)32)38-20-8-7-19(22(20)14-3-5-18(26)6-4-14)36(2)12-21-33-23(37)35-34-21;/h3-6,9-11,13,19-20,22H,7-8,12H2,1-2H3,(H2,33,34,35,37);1H/t13-,19-,20+,22+;/m1./s1
    MOLECULAR FORMULA
    C25H26ClF7N4O2
    CROSS REFERENCES
    558723 logo

    canSAR558723

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.16
    AlogP 6.63
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    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 canSAR558723.