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canSAR1150238
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)OC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)O2)O1
    InChI
    InChI=1S/C47H80N2O9S/c1-3-4-5-6-7-11-14-17-22-37(51)38-26-27-41(56-38)42-29-28-40(57-42)39(58-44(52)25-20-19-24-43-45-36(32-59-43)48-47(54)49-45)23-18-15-12-9-8-10-13-16-21-35(50)31-34-30-33(2)55-46(34)53/h30,33,35-43,45,50-51H,3-29,31-32H2,1-2H3,(H2,48,49,54)/t33-,35+,36-,37-,38+,39+,40+,41+,42+,43-,45-/m0/s1
    MOLECULAR FORMULA
    C47H80N2O9S
    CROSS REFERENCES
    1150238 logo

    canSAR1150238

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 848.56
    AlogP 9.13
    HBond donors 4
    HBond acceptors 11
    Atoms 139
    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 canSAR1150238.