canSAR823039
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCc3ccccc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@]1(C)O
    InChI
    InChI=1S/C55H87ClN4O14/c1-15-42-55(10,66)47(73-52(64)58-30-38-21-17-16-18-22-38)36(6)60(13)31-32(2)28-53(8,65)46(72-50-44(61)41(59(11)12)27-33(3)68-50)34(4)45(35(5)49(62)70-42)71-43-29-54(9,67-14)48(37(7)69-43)74-51(63)57-26-25-39-23-19-20-24-40(39)56/h16-24,32-37,41-48,50,61,65-66H,15,25-31H2,1-14H3,(H,57,63)(H,58,64)/t32-,33-,34+,35-,36-,37+,41+,42-,43+,44-,45+,46-,47-,48+,50+,53+,54-,55-/m1/s1
    MOLECULAR FORMULA
    C55H87ClN4O14
    CROSS REFERENCES
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    canSAR823039
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1062.59
    AlogP6.46
    HBond donors5
    HBond acceptors18
    Atoms161
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823039.