BDBM50563729 CHEMBL4749904::US12304916, Example 21

SMILES CC(C)Nc1c(cnc2sc(cc12)-c1cn[nH]c1)C(=O)NC[C@@H](F)C(C)(C)O

InChI Key InChIKey=IAAHHXMCVPRARJ-UHFFFAOYSA-N

Data  2 IC50

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