canSAR2080610
FEATURES
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NAMES
    SMILES
    Cc1cn(CCCCCCCCOC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)c(=O)n(CCCCCCCCOC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)c1=O
    InChI
    InChI=1S/C81H130N2O8/c1-55-54-82(48-24-20-16-18-22-26-50-90-67(87)80-44-40-70(2,3)52-58(80)56-28-30-62-74(10)36-34-64(84)72(6,7)60(74)32-38-78(62,14)76(56,12)42-46-80)69(89)83(66(55)86)49-25-21-17-19-23-27-51-91-68(88)81-45-41-71(4,5)53-59(81)57-29-31-63-75(11)37-35-65(85)73(8,9)61(75)33-39-79(63,15)77(57,13)43-47-81/h28-29,54,58-65,84-85H,16-27,30-53H2,1-15H3/t58-,59-,60-,61-,62+,63+,64-,65-,74-,75-,76+,77+,78+,79+,80-,81-/m0/s1
    MOLECULAR FORMULA
    C81H130N2O8
    CROSS REFERENCES
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    canSAR2080610
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1258.98
    AlogP18.41
    HBond donors2
    HBond acceptors10
    Atoms221
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080610.