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canSAR928128
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)Nc2cccc([N+](=O)[O-])c2)[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(20-16-19-48-44(67)49-32-17-15-18-33(22-32)52(59)60)25-26(2)23-45(8,57)41(66-43-37(53)34(50(11)12)21-27(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/h15,17-18,22,26-31,34-41,43,53-55,57-58H,14,16,19-21,23-25H2,1-13H3,(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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    canSAR928128

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 971.55
    AlogP 3.56
    HBond donors 7
    HBond acceptors 19
    Atoms 148
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR928128.