Name: SOCE inhibitor 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670445
Cas No:2169316-15-6
常用名:SOCE inhibitor 1
IUPAC:3-[1-(4-{4-[(pentan-2-yloxy)carbonyl]-5-(trifluoromethyl)-1H-pyrazol-1-yl}phenyl)-1H-1,2,3-triazol-4-yl]benzoic acid
IUPAC:3-[1-(4-{4-[(pentan-2-yloxy)carbonyl]-5-(trifluoromethyl)-1H-pyrazol-1-yl}phenyl)-1H-1,2,3-triazol-4-yl]benzoic acid
InChI key:ZAJXAJYMOCWUGX-UHFFFAOYSA-N

分子式:C25H22F3N5O4
分子量:513.477
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:5.996466
SMILES:CCCC(C)OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
SMILES:CCCC(C)OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O

SOCE inhibitor 1 is a inhibitor of store-operated calcium entry (SOCE)(IC50 of 4.4 μM).

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