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canSAR1150775
FEATURES
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NAMES
    SMILES
    CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCCCC3=C[C@H](C)OC3=O)OC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)O2)O1
    InChI
    InChI=1S/C53H91N3O10S/c1-3-4-5-16-24-40(57)25-22-26-42(58)43-31-32-46(64-43)47-34-33-45(65-47)44(27-17-13-11-9-7-6-8-10-12-15-23-39-36-38(2)63-52(39)61)66-50(60)30-18-14-21-35-54-49(59)29-20-19-28-48-51-41(37-67-48)55-53(62)56-51/h36,38,40-48,51,57-58H,3-35,37H2,1-2H3,(H,54,59)(H2,55,56,62)/t38-,40-,41-,42-,43+,44+,45+,46+,47+,48-,51-/m0/s1
    MOLECULAR FORMULA
    C53H91N3O10S
    CROSS REFERENCES
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    canSAR1150775

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 961.64
    AlogP 9.81
    HBond donors 5
    HBond acceptors 13
    Atoms 158
    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 canSAR1150775.