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canSAR2087067
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NAMES
    SMILES
    Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1C(F)(F)F
    InChI
    InChI=1S/C22H26F3N5O/c23-22(24,25)17-5-12(7-27-21(17)26)18-6-19(30(28-18)13-3-1-2-4-13)20-15-8-29(9-16(15)20)14-10-31-11-14/h5-7,13-16,20H,1-4,8-11H2,(H2,26,27)/t15-,16+,20+
    MOLECULAR FORMULA
    C22H26F3N5O
    CROSS REFERENCES
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    canSAR2087067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.21
    AlogP 3.71
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR2087067.