BDBM651014 2-[(2S,5R)-2,5-dimethyl-4-(prop-2- enoyl)piperazin-1-yl]-16,17,20-trifluoro-6- (propan-2-yl)-11,12-dihydro-4H,10H-1,18- ethenopyrido[4,3-e]pyrimido[1,6- g][1,7,9]benzoxadiazacyclododecin-4-one::US20240043448, Example 78

SMILES CC(C)c1nccc2CCCOc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F

InChI Key InChIKey=RQDNVHSUIKEFGK-UHFFFAOYSA-N

Data  1 IC50

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