canSAR2095986
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
    InChI
    InChI=1S/C41H74N10O8S2/c1-28(52)47-31-17-10-14-25-45-35(53)20-6-4-5-7-21-36(54)46-26-15-11-19-33(39(57)48-30(37(43)55)22-27-61-3)50-41(59)34(18-9-13-24-44-29(2)60)51-40(58)32(49-38(31)56)16-8-12-23-42/h30-34H,4-27,42H2,1-3H3,(H2,43,55)(H,44,60)(H,45,53)(H,46,54)(H,47,52)(H,48,57)(H,49,56)(H,50,59)(H,51,58)/t30-,31-,32-,33-,34-/m0/s1
    MOLECULAR FORMULA
    C41H74N10O8S2
    CROSS REFERENCES
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    canSAR2095986
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight898.51
    AlogP0.83
    HBond donors12
    HBond acceptors18
    Atoms135
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095986.