canSAR863293
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C47H81N5O14S/c1-14-35-47(10,58)39(54)30(6)51(21-15-20-48-44(67)49-32-16-18-33(19-17-32)52(59)60)25-26(2)23-45(8,57)41(66-43-37(53)34(50(11)12)22-27(3)62-43)28(4)38(29(5)42(56)64-35)65-36-24-46(9,61-13)40(55)31(7)63-36/h16-19,26-31,34-41,43,53-55,57-58H,14-15,20-25H2,1-13H3,(H2,48,49,67)/t26-,27-,28+,29-,30-,31+,34+,35-,36+,37-,38+,39-,40+,41-,43+,45-,46-,47-/m1/s1
    MOLECULAR FORMULA
    C47H81N5O14S
    CROSS REFERENCES
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    canSAR863293
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight971.55
    AlogP3.56
    HBond donors7
    HBond acceptors19
    Atoms148
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR863293.