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canSAR1026430
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NAMES
    SMILES
    O=C(N[C@@H]1COc2cccc(-c3cncnc3)c2C1)c1ccc(OCCC(F)(F)F)nc1
    InChI
    InChI=1S/C22H19F3N4O3/c23-22(24,25)6-7-31-20-5-4-14(11-28-20)21(30)29-16-8-18-17(15-9-26-13-27-10-15)2-1-3-19(18)32-12-16/h1-5,9-11,13,16H,6-8,12H2,(H,29,30)/t16-/m0/s1
    MOLECULAR FORMULA
    C22H19F3N4O3
    CROSS REFERENCES
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    canSAR1026430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.14
    AlogP 3.60
    HBond donors 1
    HBond acceptors 7
    Atoms 51
    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 canSAR1026430.