BDBM498884 US11014912, Example 60

SMILES CN(C)C(=O)c1ccc(cc1)C1CN(C1)C(=O)C[C@@H]1CCN(C1)C#N

InChI Key InChIKey=JUWHJTKPALEDBO-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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