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canSAR1864668
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(C(Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1
    InChI
    InChI=1S/C33H50N6O8/c1-31(2,3)45-27(41)15-14-26(28(42)37-16-18-38(19-17-37)30(44)47-33(7,8)9)39-21-25(35-36-39)24(34-29(43)46-32(4,5)6)20-22-10-12-23(40)13-11-22/h10-13,21,24,26,40H,14-20H2,1-9H3,(H,34,43)/t24?,26-/m0/s1
    MOLECULAR FORMULA
    C33H50N6O8
    CROSS REFERENCES
    1864668 logo

    canSAR1864668

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 658.37
    AlogP 4.53
    HBond donors 2
    HBond acceptors 14
    Atoms 97
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1864668.