canSAR823399
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](OC(=O)CCNCC(=O)Nc3ccc([N+](=O)[O-])cc3)[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)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C48H79N5O17/c1-14-34-48(10,61)40(57)29(6)43(58)50-25(2)22-46(8,60)41(70-45-38(56)33(52(11)12)21-26(3)65-45)27(4)39(28(5)44(59)67-34)69-37-23-47(9,64-13)42(30(7)66-37)68-36(55)19-20-49-24-35(54)51-31-15-17-32(18-16-31)53(62)63/h15-18,25-30,33-34,37-42,45,49,56-57,60-61H,14,19-24H2,1-13H3,(H,50,58)(H,51,54)/t25-,26-,27+,28-,29-,30+,33+,34-,37+,38-,39+,40-,41-,42+,45+,46-,47-,48-/m1/s1
    MOLECULAR FORMULA
    C48H79N5O17
    CROSS REFERENCES
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    canSAR823399
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight997.55
    AlogP2.16
    HBond donors7
    HBond acceptors22
    Atoms149
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823399.