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canSAR1208353
FEATURES
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NAMES
    SMILES
    COC1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCOCCO[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)C(C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
    InChI
    InChI=1S/C38H57N3O15/c1-19-14-23-29(40-10-11-53-12-13-54-37-34(48)33(47)32(46)28(18-42)55-37)25(43)17-24(31(23)45)41-36(49)20(2)8-7-9-26(51-5)35(56-38(39)50)22(4)16-21(3)30(44)27(15-19)52-6/h7-9,16-17,19,21,26-28,30,32-35,37,40,42,44,46-48H,10-15,18H2,1-6H3,(H2,39,50)(H,41,49)/b9-7-,20-8+,22-16+/t19-,21?,26?,27+,28+,30-,32+,33+,34+,35+,37-/m1/s1
    MOLECULAR FORMULA
    C38H57N3O15
    CROSS REFERENCES
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    canSAR1208353

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 795.38
    AlogP -0.82
    HBond donors 9
    HBond acceptors 18
    Atoms 113
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1208353.