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canSAR841113
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NAMES
    SMILES
    CN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)N=C1N
    InChI
    InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29)/t21-/m1/s1
    MOLECULAR FORMULA
    C22H16F4N4O2
    CROSS REFERENCES
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    canSAR841113

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.12
    AlogP 3.82
    HBond donors 2
    HBond acceptors 6
    Atoms 48
    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 canSAR841113.