PTOTAC HSD17B13 degrader 1
HIT218903683
sdf文件结构编辑类似物检索
HIT ID: HIT218903683
Cas No:
分子式: C45H45ClF3N7O5
分子量: 856.34
常用名: PTOTAC HSD17B13 degrader 1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,3,5-trifluoro-4-hydroxy-N-{[(1r,4r)-4-[6-(2-{3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]propyl}-2,3-dihydro-1H-isoindol-5-yl)-2H-indazol-2-yl]cyclohexyl]methyl}benzamide hydrochloride
IUPAC: 2,3,5-trifluoro-4-hydroxy-N-{[(1r,4r)-4-[6-(2-{3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]propyl}-2,3-dihydro-1H-isoindol-5-yl)-2H-indazol-2-yl]cyclohexyl]methyl}benzamide hydrochloride
SMILES: Cl.Cn1c2cc(CCCN3Cc4ccc(cc4C3)-c3ccc4cn(nc4c3)[C@H]3CC[C@H](CNC(=O)c4cc(F)c(O)c(F)c4F)CC3)ccc2n(C2CCC(=O)NC2=O)c1=O
SMILES: Cl.Cn1c2cc(CCCN3Cc4ccc(cc4C3)-c3ccc4cn(nc4c3)[C@H]3CC[C@H](CNC(=O)c4cc(F)c(O)c(F)c4F)CC3)ccc2n(C2CCC(=O)NC2=O)c1=O
InChI key: PUPPJGPTCPHCGA-WTCBJYTRSA-N
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