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canSAR931483
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(=S)Nc2ccc(OCc3ccccc3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C54H88N4O13S/c1-14-42-54(10,64)46(60)36(6)58(26-18-25-55-51(72)56-39-21-23-40(24-22-39)66-31-38-19-16-15-17-20-38)30-32(2)28-52(8,63)48(71-50-44(59)41(57(11)12)27-33(3)67-50)34(4)45(35(5)49(62)69-42)70-43-29-53(9,65-13)47(61)37(7)68-43/h15-17,19-24,32-37,41-48,50,59-61,63-64H,14,18,25-31H2,1-13H3,(H2,55,56,72)/t32-,33-,34+,35-,36-,37+,41+,42-,43+,44-,45+,46-,47+,48-,50+,52-,53-,54-/m1/s1
    MOLECULAR FORMULA
    C54H88N4O13S
    CROSS REFERENCES
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    canSAR931483

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1032.61
    AlogP 5.23
    HBond donors 7
    HBond acceptors 17
    Atoms 160
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR931483.