canSAR2171070
FEATURES
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NAMES
    SMILES
    COc1cc(OC)cc(N(CC#Cc2cc(C(N)=O)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
    InChI
    InChI=1S/C29H25N7O3/c1-35-18-20(16-33-35)28-17-32-26-7-6-22(14-27(26)34-28)36(23-12-24(38-2)15-25(13-23)39-3)10-4-5-21-11-19(29(30)37)8-9-31-21/h6-9,11-18H,10H2,1-3H3,(H2,30,37)
    MOLECULAR FORMULA
    C29H25N7O3
    CROSS REFERENCES
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    canSAR2171070
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.20
    AlogP3.73
    HBond donors2
    HBond acceptors10
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2171070.