General Information of the Compound
| Compound ID |
CP0323368
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| Compound Name |
2-methylsulfonyl-2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(2-sulfamoylethyl)acetamide
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| Structure |
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| Formula |
C18H19N3O5S3
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| Molecular Weight |
453.567
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| Canonical SMILES |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C18H19N3O5S3/c1-28(23,24)16(17(22)20-9-10-29(19,25)26)18-21-14-8-7-13(11-15(14)27-18)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3,(H,20,22)(H2,19,25,26)
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| InChIKey |
KJGIDIVEURYMDI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06562, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase