canSAR16321
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H](NC(=O)[C@H]1NC(=O)C(CCC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
    InChI
    InChI=1S/C40H56N8O10S2/c1-21(2)30(36(56)43-20-28(42)50)46-38(58)32-40(5,6)60-59-39(3,4)31(47-33(53)25(41)18-23-12-14-24(49)15-13-23)37(57)45-27(19-22-10-8-7-9-11-22)35(55)44-26(34(54)48-32)16-17-29(51)52/h7-15,21,25-27,30-32,49H,16-20,41H2,1-6H3,(H2,42,50)(H,43,56)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,54)(H,51,52)/t25-,26?,27+,30+,31-,32+/m0/s1
    MOLECULAR FORMULA
    C40H56N8O10S2
    CROSS REFERENCES
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    canSAR16321
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight872.36
    AlogP0.00
    HBond donors12
    HBond acceptors18
    Atoms116
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR16321.