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canSAR1402745
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NAMES
    SMILES
    O=C(NC1CCC[C@@H]1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
    InChI
    InChI=1S/C21H23FN6O2/c22-14-9-13(10-23-11-14)17-4-2-7-27(17)19-6-8-28-20(26-19)15(12-24-28)21(30)25-16-3-1-5-18(16)29/h6,8-12,16-18,29H,1-5,7H2,(H,25,30)/t16?,17?,18-/m0/s1
    MOLECULAR FORMULA
    C21H23FN6O2
    CROSS REFERENCES
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    canSAR1402745

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.19
    AlogP 2.25
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    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 canSAR1402745.