canSAR2061589
FEATURES
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NAMES
    SMILES
    CNC1C(C)OC(OC2c3cc(C)c(C(=O)NC(C)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)C2O)C(O)C1OC1OC(CO)C(O)C(OS(=O)(=O)O)C1O
    InChI
    InChI=1S/C41H46N2O22S/c1-11-6-18-24(31(50)21(11)38(54)43-12(2)39(55)56)23-16(9-17-25(32(23)51)28(47)15-7-14(60-5)8-19(45)22(15)27(17)46)29(48)35(18)63-40-33(52)36(26(42-4)13(3)61-40)64-41-34(53)37(65-66(57,58)59)30(49)20(10-44)62-41/h6-9,12-13,20,26,29-30,33-37,40-42,44-45,48-53H,10H2,1-5H3,(H,43,54)(H,55,56)(H,57,58,59)/t12?,13-,20-,26+,29+,30-,33-,34-,35+,36+,37+,40+,41+/m1/s1
    MOLECULAR FORMULA
    C41H46N2O22S
    CROSS REFERENCES
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    canSAR2061589
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight950.23
    AlogP-1.42
    HBond donors12
    HBond acceptors24
    Atoms112
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2061589.