canSAR2102702
FEATURES
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NAMES
    SMILES
    CC1(/C=C(\C#N)C(=O)N2CCC[C@H]2Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)COC1
    InChI
    InChI=1S/C30H28FN7O3/c1-30(16-40-17-30)13-19(14-32)29(39)37-11-5-6-20(37)15-38-28-25(27(33)34-18-35-28)26(36-38)23-10-9-22(12-24(23)31)41-21-7-3-2-4-8-21/h2-4,7-10,12-13,18,20H,5-6,11,15-17H2,1H3,(H2,33,34,35)/b19-13+/t20-/m0/s1
    MOLECULAR FORMULA
    C30H28FN7O3
    CROSS REFERENCES
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    canSAR2102702
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight553.22
    AlogP4.48
    HBond donors2
    HBond acceptors10
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2102702.