canSAR2059054
FEATURES
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NAMES
    SMILES
    CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)CNCCSc3cnc4ccccc4n3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
    InChI
    InChI=1S/C50H83N5O13S/c1-15-37-50(10,61)43(58)32(6)55(13)27-28(2)23-48(8,60)44(68-47-41(57)36(54(11)12)22-29(3)63-47)30(4)42(31(5)46(59)65-37)67-40-24-49(9,62-14)45(33(7)64-40)66-39(56)26-51-20-21-69-38-25-52-34-18-16-17-19-35(34)53-38/h16-19,25,28-33,36-37,40-45,47,51,57-58,60-61H,15,20-24,26-27H2,1-14H3/t28?,29-,30+,31-,32-,33+,36+,37-,40+,41-,42+,43-,44-,45+,47?,48-,49-,50-/m1/s1
    MOLECULAR FORMULA
    C50H83N5O13S
    CROSS REFERENCES
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    canSAR2059054
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight993.57
    AlogP3.78
    HBond donors5
    HBond acceptors18
    Atoms152
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059054.