BDBM594228 US11584747, Example 22

SMILES CC[C@@H]1CN([C@@H](CC)CN1Cc1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N

InChI Key InChIKey=CSGAEEBCVJCSNT-UHFFFAOYSA-N

Data  2 IC50

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