canSAR638446
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)CC(=O)NN2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2C=Cc2ccccc2)cc1
    InChI
    InChI=1S/C35H33N7O4/c1-25-22-29(41(20-6-18-36)21-7-19-37)14-11-27(25)23-31-35(45)42(32(39-31)17-10-26-8-4-3-5-9-26)40-34(44)24-33(43)38-28-12-15-30(46-2)16-13-28/h3-5,8-17,22-23H,6-7,20-21,24H2,1-2H3,(H,38,43)(H,40,44)
    MOLECULAR FORMULA
    C35H33N7O4
    CROSS REFERENCES
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    canSAR638446
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight615.26
    AlogP4.99
    HBond donors2
    HBond acceptors11
    Atoms79
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR638446.