BDBM50092814 CHEMBL3586436::US20250188095, Example Seltorexant

SMILES: [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1

InChI Key: InChIKey=SQOCEMCKYDVLMM-UHFFFAOYSA-N

Data: 3 KI  9 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match