canSAR2080159
FEATURES
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NAMES
    SMILES
    CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)CNCCCNCCOCCNc3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
    InChI
    InChI=1S/C60H99FN6O17/c1-15-46-60(10,76)52(71)37(6)66(13)31-33(2)28-58(8,75)53(84-57-50(70)45(65(11)12)25-34(3)79-57)35(4)51(36(5)56(74)81-46)83-48-29-59(9,77-14)54(38(7)80-48)82-47(68)30-63-20-16-19-62-21-23-78-24-22-64-43-27-44-40(26-42(43)61)49(69)41(55(72)73)32-67(44)39-17-18-39/h26-27,32-39,45-46,48,50-54,57,62-64,70-71,75-76H,15-25,28-31H2,1-14H3,(H,72,73)/t33?,34-,35+,36-,37-,38+,45+,46-,48+,50-,51+,52-,53-,54+,57?,58-,59-,60-/m1/s1
    MOLECULAR FORMULA
    C60H99FN6O17
    CROSS REFERENCES
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    canSAR2080159
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1194.71
    AlogP3.64
    HBond donors8
    HBond acceptors23
    Atoms183
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080159.