BDBM50563725 CHEMBL4761018::US12304916, Example 79

SMILES CC(C)Nc1c(cnc2sc(cc12)-c1cncs1)-c1cn(CCCO)nn1

InChI Key InChIKey=PCBDWURYIKEHOP-UHFFFAOYSA-N

Data  2 IC50

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