canSAR1846417
FEATURES
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NAMES
    SMILES
    C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]1(C)O
    InChI
    InChI=1S/C32H57N5O9/c1-11-16-44-26-20(5)24(46-30(42)36-15-13-14-35-28(33)37-29(41)34-10)21(6)27(40)45-22(12-2)31(7,8)25(39)19(4)23(38)18(3)17-32(26,9)43/h1,18-26,38-39,43H,12-17H2,2-10H3,(H,36,42)(H4,33,34,35,37,41)/t18-,19+,20+,21-,22-,23+,24+,25-,26-,32-/m1/s1
    MOLECULAR FORMULA
    C32H57N5O9
    CROSS REFERENCES
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    canSAR1846417
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight655.42
    AlogP1.71
    HBond donors8
    HBond acceptors14
    Atoms103
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846417.