canSAR857214
FEATURES
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NAMES
    SMILES
    CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCCO[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]3O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]5OS(=O)(=O)O)[C@@H]4OS(=O)(=O)O)[C@@H]3OS(=O)(=O)O)cccc12
    InChI
    InChI=1S/C44H70N2O62S14/c1-46(2)23-13-9-12-22-21(23)11-10-14-28(22)109(47,48)45-15-7-5-3-4-6-8-16-88-41-37(35(104-118(73,74)75)31(102-116(67,68)69)26(93-41)19-91-112(55,56)57)99-43-39(107-121(82,83)84)34(30(101-115(64,65)66)25(95-43)18-90-111(52,53)54)97-42-38(106-120(79,80)81)33(29(100-114(61,62)63)24(94-42)17-89-110(49,50)51)98-44-40(108-122(85,86)87)36(105-119(76,77)78)32(103-117(70,71)72)27(96-44)20-92-113(58,59)60/h9-14,24-27,29-45H,3-8,15-20H2,1-2H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)/t24-,25-,26-,27-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-/m1/s1
    MOLECULAR FORMULA
    C44H70N2O62S14
    CROSS REFERENCES
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    canSAR857214
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2065.85
    AlogP-7.43
    HBond donors14
    HBond acceptors64
    Atoms192
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857214.