Chemical Compound

4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer A), and 4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer B)

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4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer A), and 4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer B) 结构式
Primary record

4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer A), and 4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer B)

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
138752702
SMILES
C1CN([C@@H](C2=CC=CC(=C21)C3=CN=CN=C3)C(=O)NC45CCC(CC4)(CC5)C(=O)O)C(=O)C6=CN(N=N6)C7=C(C(=CC=C7)Cl)F
Canonical SMILES
O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1c2cccc(-c3cncnc3)c2CCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1

名称与同义词

  • CHEMBL5857945
  • BDBM335915
  • US9738655, Example 144
  • 4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer A), and 4-(2-{[1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-1-amido)bicyclo[2.2.2]octane-1-carboxylic acid, 1 TFA (enantiomer B)