canSAR209600
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(N)=O
    InChI
    InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C40H58N8O10S2
    CROSS REFERENCES
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    canSAR209600
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight874.37
    AlogP-0.44
    HBond donors12
    HBond acceptors18
    Atoms118
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR209600.