canSAR2062127
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C(/C(=O)N(C)CCCCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)c2cc(OC)c(OC)c(OC)c2)cc1O
    InChI
    InChI=1S/C41H46N2O8/c1-26-32-25-31(45)16-17-34(32)43(39(26)28-12-14-30(44)15-13-28)20-10-8-7-9-19-42(2)41(47)33(21-27-11-18-36(48-3)35(46)22-27)29-23-37(49-4)40(51-6)38(24-29)50-5/h11-18,21-25,44-46H,7-10,19-20H2,1-6H3/b33-21+
    MOLECULAR FORMULA
    C41H46N2O8
    CROSS REFERENCES
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    canSAR2062127
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight694.33
    AlogP8.03
    HBond donors3
    HBond acceptors10
    Atoms97
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062127.