KT-474
HIT217586453
sdf文件结构编辑类似物检索
HIT ID: HIT217586453
Cas No: 2432994-31-3
分子式: C44H49F2N11O6
分子量: 865.944
常用名: KT-474
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[3-(difluoromethyl)-1-[(1r,4r)-4-{[4-({3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-4-yl]prop-2-yn-1-yl}oxy)piperidin-1-yl]methyl}cyclohexyl]-1H-pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC: N-[3-(difluoromethyl)-1-[(1r,4r)-4-{[4-({3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-4-yl]prop-2-yn-1-yl}oxy)piperidin-1-yl]methyl}cyclohexyl]-1H-pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES: [H][C@@]12CN(c3ccn4ncc(C(=O)Nc5cn(nc5C(F)F)[C@H]5CC[C@H](CN6CCC(CC6)OCC#Cc6cccc7n(C8CCC(=O)NC8=O)c(=O)n(C)c67)CC5)c4n3)[C@@]([H])(CO1)C2
SMILES: [H][C@@]12CN(c3ccn4ncc(C(=O)Nc5cn(nc5C(F)F)[C@H]5CC[C@H](CN6CCC(CC6)OCC#Cc6cccc7n(C8CCC(=O)NC8=O)c(=O)n(C)c67)CC5)c4n3)[C@@]([H])(CO1)C2
InChI key: NQGKNAVUMAHSQN-KDRPOVOJSA-N
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