Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(5-bromo-2-pyridinyl)

• 常用名: Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(5-bromo-2-pyridinyl)
• 英文名: Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(5-bromo-2-pyridinyl)
• CAS号: 183856-54-4
• 分子量: 904.6
• 密度: N/A
• 沸点: N/A
• 分子式: C₄₅H₄₀Br₂N₆O₅
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-(5-bromo-2-pyridinyl)

物理化学性质

• 分子式: C₄₅H₄₀Br₂N₆O₅
• 分子量: 904.6
• InChIKey: QMNGJVDHBPPPHI-VNXDFUDDSA-N
• SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)C(=O)NC4=NC=C(C=C4)Br)CC5=CC(=CC=C5)C(=O)NC6=NC=C(C=C6)Br)CC7=CC=CC=C7)O)O

靶点实验

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实验名称：Calculated partition coefficient (clogP) 来源：ChEMBL 靶标：N/A External Id：CHEMBL624146

实验名称：Inhibition of HIV-1 protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL763303

实验名称：HIV Enzyme Data 来源：NIAID 靶标：N/A External Id：HIV Enzyme Data

实验名称：The concentration required to inhibit HIV-1 RNA synthesis by 90%. Viral RNA quantifie... 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL812197

实验名称：Inhibitory activity against HIV-1 protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL769064

实验名称：HIV Cellular Data 来源：NIAID 靶标：N/A External Id：HIV Cellular Data

实验名称：Binding affinity for HIV-1 protease 来源：ChEMBL 靶标：Pol polyprotein External Id：CHEMBL769062

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