N-[(2E)-4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]-2-buten-1-yl]-4-(2-pyridyl)-benzamidedihydrochloride

• 常用名: N-[(2E)-4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]-2-buten-1-yl]-4-(2-pyridyl)-benzamidedihydrochloride
• 英文名: N-[(2E)-4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]-2-buten-1-yl]-4-(2-pyridyl)-benzamidedihydrochloride
• CAS号: 790658-27-4
• 分子量: 554.33900
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₆H₂₈Cl₄N₄O
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: N-{(2E)-4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]-2-buten-1-yl}-4- (2-pyridinyl)benzamide dihydrochloride

物理化学性质

• 分子式: C₂₆H₂₈Cl₄N₄O
• 分子量: 554.33900
• 精确质量: 552.10200
• PSA: 48.47000
• LogP: 7.16140
• InChIKey: ZMYOIZHRXABMFZ-ONEGZZNKSA-N
• SMILES: O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1

靶点实验

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实验名称：Lipophilicity was determined 来源：ChEMBL 靶标：N/A External Id：CHEMBL876457

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：Selectivity for human dopamine D3 receptor over human 5HT2C receptor 来源：ChEMBL 靶标：N/A External Id：CHEMBL895660

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

实验名称：cLogD was determined 来源：ChEMBL 靶标：N/A External Id：CHEMBL827009

实验名称：Relative binding affinity for human dopamine D4 and dopamine D3 receptors 来源：ChEMBL 靶标：Dopamine receptors; D3 & D4 External Id：CHEMBL831773

实验名称：qHTS assay to identify novel small-molecules to repurpose for Merkel cell carcinoma t... 来源：NCGC 靶标：N/A External Id：MCC011

实验名称：Primary qHTS for Identification of Calcium Integrin Binding Protein 1 (CIB1) Competit... 来源：NCGC External Id：CIB1-p1-p2

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