BDBM270445 US10059668, Example 8

SMILES O=C(NS(=O)(=O)Cc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1

InChI Key InChIKey=BRNRTNKLFDNGMG-UHFFFAOYSA-N

Data  1 IC50

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