canSAR424523
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cccc[n+]1[O-]
    InChI
    InChI=1S/C50H75N9O9/c1-11-33(6)43(47(64)52-29-36-20-15-16-23-59(36)67)56-44(61)37(32(4)5)27-42(60)38(24-31(2)3)54-46(63)41(26-35-28-51-30-53-35)57(10)48(65)39(25-34-18-13-12-14-19-34)55-45(62)40-21-17-22-58(40)49(66)68-50(7,8)9/h12-16,18-20,23,28,30-33,37-43,60H,11,17,21-22,24-27,29H2,1-10H3,(H,51,53)(H,52,64)(H,54,63)(H,55,62)(H,56,61)/t33?,37-,38-,39-,40-,41-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C50H75N9O9
    CROSS REFERENCES
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    canSAR424523
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight945.57
    AlogP3.94
    HBond donors6
    HBond acceptors18
    Atoms143
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR424523.