canSAR2098306
FEATURES
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NAMES
    SMILES
    CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(-c2ccc(C(=O)O)cc2)c1
    InChI
    InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1
    MOLECULAR FORMULA
    C24H24N4O3
    CROSS REFERENCES
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    canSAR2098306
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight416.18
    AlogP3.73
    HBond donors5
    HBond acceptors7
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2098306.