BDBM50563726 CHEMBL4754408::US12304916, Example 45

SMILES CC(C)Nc1c(cnc2sc(cc12)-c1cncs1)C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O

InChI Key InChIKey=KUSFXSFMKTYASC-UHFFFAOYSA-N

Data  2 IC50

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