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canSAR2084430
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NAMES
    SMILES
    Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccc(C(F)F)nc4)c3C2)c(C#N)c1
    InChI
    InChI=1S/C23H22F2N6O/c1-14-2-5-21(16(8-14)9-26)31-7-6-18-17(11-31)23(29-13-28-18)30-20(12-32)15-3-4-19(22(24)25)27-10-15/h2-5,8,10,13,20,22,32H,6-7,11-12H2,1H3,(H,28,29,30)/t20-/m1/s1
    MOLECULAR FORMULA
    C23H22F2N6O
    CROSS REFERENCES
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    canSAR2084430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.18
    AlogP 3.70
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    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 canSAR2084430.