canSAR425389
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NCCOCCN2C(=O)CC(SCCC(=O)N[C@@H](CCCCN)C(=O)O)C2=O)[C@H](O)[C@H](C)O1
    InChI
    InChI=1S/C44H56N4O17S/c1-21-37(53)25(46-11-13-63-14-12-48-31(52)17-28(42(48)58)66-15-9-30(51)47-24(43(59)60)7-3-4-10-45)16-32(64-21)65-27-19-44(61,29(50)20-49)18-23-34(27)41(57)36-35(39(23)55)38(54)22-6-5-8-26(62-2)33(22)40(36)56/h5-6,8,21,24-25,27-28,32,37,46,49,53,55,57,61H,3-4,7,9-20,45H2,1-2H3,(H,47,51)(H,59,60)/t21-,24-,25-,27-,28?,32-,37+,44-/m0/s1
    MOLECULAR FORMULA
    C44H56N4O17S
    CROSS REFERENCES
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    canSAR425389
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight944.34
    AlogP-0.40
    HBond donors10
    HBond acceptors21
    Atoms122
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR425389.