(4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone

• 常用名: (4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
• 英文名: (4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
• CAS号: 1352834-55-9
• 分子量: 450.92100
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₃H₂₃ClN₆O₂
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: [4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-m ethyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

物理化学性质

• 分子式: C₂₃H₂₃ClN₆O₂
• 分子量: 450.92100
• 精确质量: 450.15700
• PSA: 80.29000
• LogP: 4.11420
• InChIKey: JYTNQNCOQXFQPK-UHFFFAOYSA-N
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CCC2C)c1

靶点实验

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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：Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：HCMV UL50 External Id：HMS1262

实验名称：Primary Screen for Target Class Profiling of Small Molecule Inhibitors of Methyltrans... 来源：NCGC External Id：MTASE-p

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：Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approve... 来源：NCGC 靶标：N/A External Id：OBG420

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：Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) i... 来源：NCGC External Id：NSD2-synergy-p-2C

实验名称：Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) i... 来源：NCGC External Id：NSD2-synergy-p-9B

实验名称：Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant ... 来源：NCGC External Id：s-sky_synergy-MV-411_DR-CTG72-MIPE_NPC_NPACT_Kinase-p1

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英文别名

• HC2C6H4C2C6H4NO2-4
• (4-(5-chlorobenzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
• 1-Ethynyl-4-((4-nitrophenyl)ethynyl)benzene
• 4,4'-HCCC6H4CCC6H4NO2
• (4-(4-nitrophenylethynyl)phenyl)ethyne
• 1-(4-ethynylphenyl)-2-(4-nitrophenyl)acetylene
• Benzene,1-ethynyl-4-[(4-nitrophenyl)ethynyl]
• HC*C-C6H4-(C*C-C6H4NO2-4)-4