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canSAR1269568
FEATURES
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NAMES
    SMILES
    CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCc3cccc(C#N)c3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
    InChI
    InChI=1S/C36H44N4O8/c1-20-13-26-31(39-19-25-11-8-10-24(16-25)18-37)28(41)17-27(33(26)43)40-35(44)21(2)9-7-12-29(46-5)34(48-36(38)45)23(4)15-22(3)32(42)30(14-20)47-6/h7-12,15-17,20,22,29-30,32,34,39,42H,13-14,19H2,1-6H3,(H2,38,45)(H,40,44)/b12-7-,21-9+,23-15+/t20-,22+,29+,30+,32-,34+/m1/s1
    MOLECULAR FORMULA
    C36H44N4O8
    CROSS REFERENCES
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    canSAR1269568

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 660.32
    AlogP 3.42
    HBond donors 5
    HBond acceptors 12
    Atoms 92
    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 canSAR1269568.