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canSAR1589653
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NAMES
    SMILES
    O=C1CCCC2=C1C(c1ccccc1C(F)(F)F)N=C(Nc1nc3ccccc3o1)N2
    InChI
    InChI=1S/C22H17F3N4O2/c23-22(24,25)13-7-2-1-6-12(13)19-18-15(9-5-10-16(18)30)26-20(28-19)29-21-27-14-8-3-4-11-17(14)31-21/h1-4,6-8,11,19H,5,9-10H2,(H2,26,27,28,29)
    MOLECULAR FORMULA
    C22H17F3N4O2
    CROSS REFERENCES
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    canSAR1589653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.13
    AlogP 4.97
    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 canSAR1589653.