canSAR1087302
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(N5CCOCC5)cc4)N3[C@@H](C#N)[C@H](C2)N1C
    InChI
    InChI=1S/C39H45N5O6/c1-42-30-16-26-19-35(47-3)37(49-5)21-29(26)39(42)31-17-25-18-34(46-2)36(48-4)20-28(25)33(44(31)32(30)22-40)23-41-38(45)11-8-24-6-9-27(10-7-24)43-12-14-50-15-13-43/h6-11,18-21,30-33,39H,12-17,23H2,1-5H3,(H,41,45)/b11-8+/t30-,31-,32-,33-,39+/m0/s1
    MOLECULAR FORMULA
    C39H45N5O6
    CROSS REFERENCES
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    canSAR1087302
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight679.34
    AlogP4.16
    HBond donors1
    HBond acceptors11
    Atoms95
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087302.