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canSAR1017818
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](C)C(=O)NCC(=O)O
    InChI
    InChI=1S/C59H111N3O9S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-54(63)62-53(59(69)61-51(4)58(68)60-47-55(64)65)50-72-49-52(71-57(67)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)48-70-56(66)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h51-53H,5-50H2,1-4H3,(H,60,68)(H,61,69)(H,62,63)(H,64,65)/t51-,52+,53-/m0/s1
    MOLECULAR FORMULA
    C59H111N3O9S
    CROSS REFERENCES
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    canSAR1017818

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1037.80
    AlogP 14.81
    HBond donors 4
    HBond acceptors 12
    Atoms 183
    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 canSAR1017818.