(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(5S)-2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]pyrrolidine-2-carboxamide

• 常用名: (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(5S)-2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]pyrrolidine-2-carboxamide
• 英文名: (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(5S)-2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]pyrrolidine-2-carboxamide
• CAS号: 2771069-76-0
• 分子量: 576.8
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₁H₄₀N₆O₃S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(5S)-2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]pyrrolidine-2-carboxamide

物理化学性质

• 分子式: C₃₁H₄₀N₆O₃S
• 分子量: 576.8
• InChIKey: IAVGSVXQQSNQFO-PWKYGKGFSA-N
• SMILES: CC1=C(SC=N1)C2=CC3=C(C=C2)[C@H](CCCC3)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](C(C)(C)C)N5C=C(N=N5)C6CC6)O

靶点实验

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实验名称：Oral absorption in female C57Bl/6 mouse at 10 mg/kg measured upto 8 hrs by LC-MS/MS a... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511968

实验名称：Oral bioavailability in female C57Bl/6 mouse at 10 mg/kg measured upto 8 hrs by LC-MS... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511967

实验名称：Half life in female C57Bl/6 mouse at 10 mg/kg, po measured upto 8 hrs by LC-MS/MS ana... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511966

实验名称：Volume of distribution in female C57Bl/6 mouse at 1 mg/kg, iv measured upto 8 hrs by ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511965

实验名称：Plasma clearance in female C57Bl/6 mouse at 1 mg/kg, iv measured upto 8 hrs by LC-MS/... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511964

实验名称：Plasma protein binding in CD-1 mouse at 5 uM incubated for 4 hrs by HPLC analysis 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511962

实验名称：Plasma protein binding in human at 5 uM incubated for 4 hrs by HPLC analysis 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511961

实验名称：Apparent permeability from apical to basolateral side in MDCKI cells at 10 uM measure... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5511960

实验名称：Binding affinity to VHL (unknown origin)-NanoLuc fusion protein expressed in HEK293 c... 来源：ChEMBL 靶标：von Hippel-Lindau disease tumor suppressor External Id：CHEMBL5511957

实验名称：Binding affinity to VHL (unknown origin)-NanoLuc fusion protein expressed in HEK293 c... 来源：ChEMBL 靶标：von Hippel-Lindau disease tumor suppressor External Id：CHEMBL5511956

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