Name: Caldaret
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212708358
Cas No:133804-44-1
常用名:Caldaret
别名:MCC-135
IUPAC:5-methyl-2-(piperazin-1-yl)benzene-1-sulfonic acid
IUPAC:5-methyl-2-(piperazin-1-yl)benzene-1-sulfonic acid
InChI key:DCDFLGVJWQIRGH-UHFFFAOYSA-N

分子式:C11H16N2O3S
分子量:256.32
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:0.021262417
SMILES:Cc1ccc(N2CCNCC2)c(c1)S(O)(=O)=O
SMILES:Cc1ccc(N2CCNCC2)c(c1)S(O)(=O)=O

Caldaret is an intracellular Ca2+ handling modulator that acts through reverse mode Na+/Ca2+ exchanger inhibition.

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