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canSAR993306
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NNC(=O)c3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
    InChI
    InChI=1S/C34H44N4O20S2/c1-14(39)49-12-23-26(58-33-30(55-20(7)45)28(53-18(5)43)25(51-16(3)41)24(57-33)13-50-15(2)40)27(52-17(4)42)29(54-19(6)44)32(56-23)36-34(59)38-37-31(46)21-8-10-22(11-9-21)60(35,47)48/h8-11,23-30,32-33H,12-13H2,1-7H3,(H,37,46)(H2,35,47,48)(H2,36,38,59)/t23-,24-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
    MOLECULAR FORMULA
    C34H44N4O20S2
    CROSS REFERENCES
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    canSAR993306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 892.20
    AlogP -1.94
    HBond donors 5
    HBond acceptors 24
    Atoms 104
    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 canSAR993306.