JAK1/TYK2-IN-1
HIT214322861
sdf文件结构编辑类似物检索
HIT ID: HIT214322861
Cas No: 1883300-48-8
分子式: C18H20F3N7O
分子量: 407.401
常用名: JAK1/TYK2-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
IUPAC: (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
SMILES: [H][C@@]12CN(C[C@]1(NC(=O)[C@@H]1CC1(F)F)[C@@H]2C)c1nc(Nc2cnn(C)c2)ncc1F
SMILES: [H][C@@]12CN(C[C@]1(NC(=O)[C@@H]1CC1(F)F)[C@@H]2C)c1nc(Nc2cnn(C)c2)ncc1F
InChI key: VFTQZQGHFFDMQS-RSNHQYPWSA-N
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