canSAR2094226
FEATURES
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NAMES
    SMILES
    CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCC(=O)NO)nn4)cc3)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
    InChI
    InChI=1S/C50H81N5O15/c1-14-37-50(10,62)43(59)29(4)40(57)27(2)23-49(9,65-13)45(30(5)42(31(6)46(61)68-37)69-39-24-48(8,64-12)44(60)32(7)67-39)70-47-41(58)36(22-28(3)66-47)54(11)25-33-17-19-34(20-18-33)35-26-55(53-51-35)21-15-16-38(56)52-63/h17-20,26-32,36-37,39,41-45,47,58-60,62-63H,14-16,21-25H2,1-13H3,(H,52,56)/t27-,28-,29+,30+,31-,32?,36+,37-,39+,41-,42+,43-,44?,45-,47+,48-,49-,50-/m1/s1
    MOLECULAR FORMULA
    C50H81N5O15
    CROSS REFERENCES
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    canSAR2094226
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight991.57
    AlogP3.55
    HBond donors6
    HBond acceptors20
    Atoms151
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094226.