canSAR1087685
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](O)[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(CCCNC(=O)[C@@]2(O)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C61H101ClFN3O16/c1-17-45-59(13,75)49(70)36(7)66(22-18-21-64-54(73)61(76)32(3)23-39-40-26-42(63)41-25-38(67)19-20-55(41,9)60(40,62)44(68)28-56(39,61)10)30-31(2)27-57(11,74)51(82-53-47(69)43(65(14)15)24-33(4)78-53)34(5)48(35(6)52(72)80-45)81-46-29-58(12,77-16)50(71)37(8)79-46/h19-20,25,31-37,39-40,42-51,53,68-71,74-76H,17-18,21-24,26-30H2,1-16H3,(H,64,73)/t31-,32-,33-,34+,35-,36-,37+,39+,40+,42+,43+,44+,45-,46+,47-,48+,49-,50+,51-,53+,55+,56+,57-,58-,59-,60+,61+/m1/s1
    MOLECULAR FORMULA
    C61H101ClFN3O16
    CROSS REFERENCES
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    canSAR1087685
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1185.69
    AlogP4.34
    HBond donors8
    HBond acceptors19
    Atoms183
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087685.