canSAR606159
FEATURES
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NAMES
    SMILES
    O=c1[nH]c2c(Nc3c4ccccc4nc4ccccc34)c([N+](=O)[O-])c(Nc3c4ccccc4nc4ccccc34)c([N+](=O)[O-])c2[nH]1
    InChI
    InChI=1S/C33H20N8O5/c42-33-38-27-28(36-25-17-9-1-5-13-21(17)34-22-14-6-2-10-18(22)25)31(40(43)44)30(32(41(45)46)29(27)39-33)37-26-19-11-3-7-15-23(19)35-24-16-8-4-12-20(24)26/h1-16H,(H,34,36)(H,35,37)(H2,38,39,42)
    MOLECULAR FORMULA
    C33H20N8O5
    CROSS REFERENCES
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    canSAR606159
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight608.16
    AlogP7.56
    HBond donors4
    HBond acceptors13
    Atoms66
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR606159.