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canSAR1146421
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NAMES
    SMILES
    COc1ccc2nc(Oc3ccc(C#N)cc3)c(C3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1
    InChI
    InChI=1S/C36H28F3N5O3/c1-35(2)16-29-32(30(45)17-35)31(27(19-41)33(42)44(29)23-6-4-5-22(15-23)36(37,38)39)26-14-21-13-25(46-3)11-12-28(21)43-34(26)47-24-9-7-20(18-40)8-10-24/h4-15,31H,16-17,42H2,1-3H3
    MOLECULAR FORMULA
    C36H28F3N5O3
    CROSS REFERENCES
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    canSAR1146421

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 635.21
    AlogP 7.87
    HBond donors 2
    HBond acceptors 8
    Atoms 75
    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 canSAR1146421.