canSAR2168178
FEATURES
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NAMES
    SMILES
    CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5cccc(C)c5c(=O)n4-c4ccccc4C)c4ncnc(N)c34)cc2[nH]1
    InChI
    InChI=1S/C32H27N9O2/c1-17-7-4-5-10-25(17)41-22(13-20-9-6-8-18(2)26(20)31(41)43)15-40-30-27(29(33)34-16-35-30)28(39-40)21-11-12-23-24(14-21)38-32(37-23)36-19(3)42/h4-14,16H,15H2,1-3H3,(H2,33,34,35)(H2,36,37,38,42)
    MOLECULAR FORMULA
    C32H27N9O2
    CROSS REFERENCES
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    canSAR2168178
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight569.23
    AlogP4.88
    HBond donors4
    HBond acceptors11
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2168178.