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canSAR1092110
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C80H154O13/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-67(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)77(87)89-65-69-71(81)73(83)75(85)79(91-69)93-80-76(86)74(84)72(82)70(92-80)66-90-78(88)68(63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h67-76,79-86H,5-66H2,1-4H3/t69-,70-,71-,72-,73+,74+,75-,76-,79-,80-/m1/s1
    MOLECULAR FORMULA
    C80H154O13
    CROSS REFERENCES
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    canSAR1092110

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1323.14
    AlogP 20.42
    HBond donors 6
    HBond acceptors 13
    Atoms 247
    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 canSAR1092110.