BDBM761311 US20250243186, Example 32

SMILES CC1=c2[nH]ccc2=C(CN2CC3CCCC3C2c2ccc(C(=O)O)cc2)C(C2CC2)C1

InChI Key InChIKey=SVUCBNKDQXYCHD-UHFFFAOYSA-N

Data  1 IC50

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