canSAR737127
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/c2cc(C)c([N+](=O)[O-])c(C)c2)c(OC)cc1C#CC#Cc1cc(OC)c(/C=C/c2cc(C)c([N+](=O)[O-])c(C)c2)cc1OC
    InChI
    InChI=1S/C40H36N2O8/c1-25-17-29(18-26(2)39(25)41(43)44)13-15-33-23-35(47-5)31(21-37(33)49-7)11-9-10-12-32-22-38(50-8)34(24-36(32)48-6)16-14-30-19-27(3)40(42(45)46)28(4)20-30/h13-24H,1-8H3/b15-13+,16-14+
    MOLECULAR FORMULA
    C40H36N2O8
    CROSS REFERENCES
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    canSAR737127
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight672.25
    AlogP8.52
    HBond donors0
    HBond acceptors10
    Atoms86
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR737127.