canSAR2065658
FEATURES
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NAMES
    SMILES
    COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCc2cn(CCCOc3cc(=O)oc4ccccc34)nn2)c(OC)c1
    InChI
    InChI=1S/C34H31N3O7/c1-40-29-10-5-3-8-25(29)14-16-27(38)15-12-24-13-17-31(33(20-24)41-2)43-23-26-22-37(36-35-26)18-7-19-42-32-21-34(39)44-30-11-6-4-9-28(30)32/h3-6,8-17,20-22H,7,18-19,23H2,1-2H3/b15-12+,16-14+
    MOLECULAR FORMULA
    C34H31N3O7
    CROSS REFERENCES
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    canSAR2065658
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight593.22
    AlogP5.75
    HBond donors0
    HBond acceptors10
    Atoms75
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2065658.