Name: KTX-955
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912427
Cas No:2573302-50-6
常用名:KTX-955
IUPAC:N-[6-(2-hydroxypropan-2-yl)-2-[(1r,4r)-4-({4-[(1r,3r)-3-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}cyclobutoxy]piperidin-1-yl}methyl)cyclohexyl]-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
IUPAC:N-[6-(2-hydroxypropan-2-yl)-2-[(1r,4r)-4-({4-[(1r,3r)-3-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}cyclobutoxy]piperidin-1-yl}methyl)cyclohexyl]-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
InChI key:InChIKey=KLKZEZBWHOQDRM-FDNLEIHHSA-N

分子式:C46H51F3N8O7
分子量:884.958
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CC[C@H](CN2CCC(CC2)O[C@H]2C[C@@H](C2)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
SMILES:CC(C)(O)c1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(F)(F)F)[C@H]1CC[C@H](CN2CCC(CC2)O[C@H]2C[C@@H](C2)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1

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