canSAR2079745
FEATURES
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NAMES
    SMILES
    Cc1ccc(NC(=O)C2=C(C(C)C)Nc3ncnn3C2c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1
    InChI
    InChI=1S/C30H27N9O3/c1-18(2)26-25(29(40)34-24-14-9-19(3)15-31-24)28(38-30(35-26)32-17-33-38)23-16-37(21-7-5-4-6-8-21)36-27(23)20-10-12-22(13-11-20)39(41)42/h4-18,28H,1-3H3,(H,31,34,40)(H,32,33,35)
    MOLECULAR FORMULA
    C30H27N9O3
    CROSS REFERENCES
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    canSAR2079745
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight561.22
    AlogP5.31
    HBond donors2
    HBond acceptors12
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079745.