BDBM561886 US11390631, Example 429

SMILES O=C1Nc2ccccc2C(=N[C@@H]1Nc1nnc(o1)-c1nc(sc1N1CCOCC1)-c1ccncc1)c1ccccc1

InChI Key InChIKey=TVXOXLDHMSVGQB-UHFFFAOYSA-N

Data  2 EC50

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