canSAR823661
FEATURES
Loading...
NAMES
    SMILES
    CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(=O)CCC(=O)N[C@H]1CCc4cc(OC)c(OC)c(OC)c4-c4ccc(SC)c(=O)cc41)[C@@H]32
    InChI
    InChI=1S/C47H55N3O11S/c1-9-45-19-10-21-50-22-20-46(41(45)50)30-14-12-27(56-3)24-32(30)49(2)42(46)47(55,44(54)60-7)43(45)61-37(53)18-17-36(52)48-31-15-11-26-23-34(57-4)39(58-5)40(59-6)38(26)28-13-16-35(62-8)33(51)25-29(28)31/h10,12-14,16,19,23-25,31,41-43,55H,9,11,15,17-18,20-22H2,1-8H3,(H,48,52)/t31-,41-,42+,43+,45+,46+,47-/m0/s1
    MOLECULAR FORMULA
    C47H55N3O11S
    CROSS REFERENCES
    Loading...
    canSAR823661
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight869.36
    AlogP4.98
    HBond donors2
    HBond acceptors14
    Atoms117
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823661.