canSAR1746620
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CCSC)C(N)=O)C(C)C
    InChI
    InChI=1S/C41H61N9O6S2/c1-25(2)35(41(56)46-31(36(44)51)17-20-57-3)50-39(54)33(18-21-58-4)48-40(55)34(22-26-12-6-5-7-13-26)49-38(53)32(16-10-11-19-42)47-37(52)29(43)23-27-24-45-30-15-9-8-14-28(27)30/h5-9,12-15,24-25,29,31-35,45H,10-11,16-23,42-43H2,1-4H3,(H2,44,51)(H,46,56)(H,47,52)(H,48,55)(H,49,53)(H,50,54)/t29-,31+,32+,33-,34-,35-/m0/s1
    MOLECULAR FORMULA
    C41H61N9O6S2
    CROSS REFERENCES
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    canSAR1746620
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight839.42
    AlogP1.48
    HBond donors12
    HBond acceptors15
    Atoms119
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746620.