1,2,3,4-四氢异喹啉-3-羧酸盐酸结构式
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常用名 | 1,2,3,4-四氢异喹啉-3-羧酸盐酸 | 英文名 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro |
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| CAS号 | 35186-99-3 | 分子量 | 213.66100 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C10H12ClNO2 | 熔点 | >300ºC(lit.) | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 1,2,3,4-四氢异喹啉-3-羧酸盐酸 |
|---|---|
| 英文名 | h-tic-oh |
| 英文别名 | 更多 |
| 熔点 | >300ºC(lit.) |
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| 分子式 | C10H12ClNO2 |
| 分子量 | 213.66100 |
| 精确质量 | 213.05600 |
| PSA | 49.33000 |
| LogP | 1.91630 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):-1.3 2.氢键供体数量:2 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积:49.3 7.重原子数量:13 8.表面电荷:0 9.复杂度:205 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:1 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 危害码 (欧洲) | Xi |
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实验名称:In vitro binding affinity towards cortical membranes of male Sprague-Dawley rats alph...
来源:ChEMBL
靶标:Alpha-2A adrenergic receptor
External Id:CHEMBL649638
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实验名称:Screen for inhibitors of RMI FANCM (MM2) intereaction
来源:11908
靶标:N/A
External Id:RMI-FANCM-MM2
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实验名称:In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl trans...
来源:ChEMBL
靶标:Phenylethanolamine N-methyltransferase
External Id:CHEMBL765518
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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实验名称:Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
来源:NCGC
External Id:stopgo-p2-SytraCBC-dual-FF
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实验名称:In vitro inhibition of [3H]diazepam binding to benzodiazepine receptor in rat cerebra...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit alpha-3
External Id:CHEMBL652562
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实验名称:Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
来源:24983
靶标:Huntingtin
External Id:KUHTS-Muma KU-CaM-Htt INH-01
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实验名称:Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
来源:NCGC
External Id:stopgo-p2-SytraCBC-dual-Ren
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| D-tetrahydroisoquinoline carboxylic acid |
| L-1,2,3,4-TETRATHYDROISOQUINOLINE-3-CARBOXYLIC ACID |
| D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| 1,2,3,4-L-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID |
| (S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID |
| H-L-TIC-OH |
| 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID |
| D-3-carboxy-1,2,3,4-tetrahydroisoquinoline |