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canSAR168950
FEATURES
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NAMES
    SMILES
    CNC(=O)O[C@@H]1[C@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]1C)C4=O
    InChI
    InChI=1S/C41H53N3O13/c1-19-11-10-12-20(2)39(51)43-29-30(44-14-17-54-18-15-44)35(49)26-27(34(29)48)33(47)24(6)37-28(26)38(50)41(7,57-37)55-16-13-25(53-9)21(3)36(56-40(52)42-8)23(5)32(46)22(4)31(19)45/h10-13,16,19,21-23,25,31-32,36,45-47H,14-15,17-18H2,1-9H3,(H,42,52)(H,43,51)/b11-10+,16-13+,20-12-/t19-,21+,22+,23+,25-,31-,32+,36+,41-/m0/s1
    MOLECULAR FORMULA
    C41H53N3O13
    CROSS REFERENCES
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    canSAR168950

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 795.36
    AlogP 3.08
    HBond donors 5
    HBond acceptors 16
    Atoms 110
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR168950.