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canSAR668219
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NAMES
    SMILES
    CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
    InChI
    InChI=1S/C33H28F4N4O4/c1-3-44-25-13-11-24(12-14-25)41-31(39-28-9-5-4-8-26(28)32(41)43)21(2)40(20-23-7-6-16-38-19-23)30(42)18-22-10-15-29(27(34)17-22)45-33(35,36)37/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
    MOLECULAR FORMULA
    C33H28F4N4O4
    CROSS REFERENCES
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    canSAR668219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.20
    AlogP 6.55
    HBond donors 0
    HBond acceptors 8
    Atoms 73
    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 canSAR668219.