canSAR2096315
FEATURES
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NAMES
    SMILES
    CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)NNC(=O)/C=C/c3ccc(C#N)cc3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C
    InChI
    InChI=1S/C50H77N5O15/c1-15-36-50(10)42(69-47(60)70-50)31(6)55(13)26-27(2)23-48(8,61)41(67-45-39(57)35(54(11)12)22-28(3)63-45)29(4)40(30(5)44(58)65-36)66-38-24-49(9,62-14)43(32(7)64-38)68-46(59)53-52-37(56)21-20-33-16-18-34(25-51)19-17-33/h16-21,27-32,35-36,38-43,45,57,61H,15,22-24,26H2,1-14H3,(H,52,56)(H,53,59)/b21-20+/t27-,28-,29+,30-,31-,32+,35+,36-,38+,39-,40+,41-,42-,43+,45+,48-,49-,50-/m1/s1
    MOLECULAR FORMULA
    C50H77N5O15
    CROSS REFERENCES
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    canSAR2096315
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight987.54
    AlogP4.43
    HBond donors4
    HBond acceptors20
    Atoms147
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096315.