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canSAR351348
FEATURES
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NAMES
    SMILES
    COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccc(OC)cc4cn3)ccc2[nH]1
    InChI
    InChI=1S/C34H25ClF3N5O6/c1-48-20-5-3-15-9-22(39-13-17(15)8-20)31(45)40-19-4-6-21-16(7-19)10-23(41-21)32(46)43-14-18(12-35)26-24(43)11-25(44)29-27(26)28(33(47)49-2)30(42-29)34(36,37)38/h3-11,13,18,41-42,44H,12,14H2,1-2H3,(H,40,45)/t18-/m1/s1
    MOLECULAR FORMULA
    C34H25ClF3N5O6
    CROSS REFERENCES
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    canSAR351348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 691.14
    AlogP 6.95
    HBond donors 4
    HBond acceptors 11
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR351348.