canSAR824446
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O
    InChI
    InChI=1S/C45H57N9O10S2/c1-23(55)35(38(47)58)52-44(64)37-45(3,4)66-65-22-34(51-39(59)30(46)18-25-10-6-5-7-11-25)42(62)49-32(19-26-14-16-28(57)17-15-26)40(60)50-33(41(61)53-36(24(2)56)43(63)54-37)20-27-21-48-31-13-9-8-12-29(27)31/h5-17,21,23-24,30,32-37,48,55-57H,18-20,22,46H2,1-4H3,(H2,47,58)(H,49,62)(H,50,60)(H,51,59)(H,52,64)(H,53,61)(H,54,63)/t23-,24-,30+,32+,33+,34+,35+,36+,37-/m1/s1
    MOLECULAR FORMULA
    C45H57N9O10S2
    CROSS REFERENCES
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    canSAR824446
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight947.37
    AlogP-0.44
    HBond donors14
    HBond acceptors19
    Atoms123
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824446.