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canSAR1588341
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NAMES
    SMILES
    Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CC[C@@H](N)CC(F)(F)C1
    InChI
    InChI=1S/C22H24F3N7O/c1-31-21(32-9-8-13(26)10-22(24,25)12-32)18(11-28-31)30-20(33)19-16(27)6-7-17(29-19)14-4-2-3-5-15(14)23/h2-7,11,13H,8-10,12,26-27H2,1H3,(H,30,33)/t13-/m1/s1
    MOLECULAR FORMULA
    C22H24F3N7O
    CROSS REFERENCES
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    canSAR1588341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.20
    AlogP 3.02
    HBond donors 5
    HBond acceptors 8
    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 canSAR1588341.