canSAR417779
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)NCc2cccc(C)c2)C(=O)NO)cc1
    InChI
    InChI=1S/C29H34N4O8S/c1-20-5-3-6-21(15-20)17-31-29(35)30-14-4-7-25(28(34)32-36)33(18-22-8-13-26-27(16-22)41-19-40-26)42(37,38)24-11-9-23(39-2)10-12-24/h3,5-6,8-13,15-16,25,36H,4,7,14,17-19H2,1-2H3,(H,32,34)(H2,30,31,35)/t25-/m1/s1
    MOLECULAR FORMULA
    C29H34N4O8S
    CROSS REFERENCES
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    canSAR417779
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight598.21
    AlogP3.08
    HBond donors4
    HBond acceptors12
    Atoms76
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR417779.