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canSAR2277274
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NAMES
    SMILES
    CC1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CCN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21
    InChI
    InChI=1S/C29H33F3N6O/c1-20-17-38(26-15-33-19-34-16-26)18-23-13-22(3-4-27(20)23)28(39)35-25-12-21(11-24(14-25)29(30,31)32)5-6-37-9-7-36(2)8-10-37/h3-4,11-16,19-20H,5-10,17-18H2,1-2H3,(H,35,39)
    MOLECULAR FORMULA
    C29H33F3N6O
    CROSS REFERENCES
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    canSAR2277274

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.27
    AlogP 4.66
    HBond donors 1
    HBond acceptors 7
    Atoms 72
    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 canSAR2277274.