General Information of the Compound
| Compound ID |
CP0384154
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| Compound Name |
2-[methylsulfonyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C18H17N5O5S3
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| Molecular Weight |
479.565
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| Canonical SMILES |
CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C18H17N5O5S3/c1-30(24,25)16(17-23-22-15(28-17)10-20-31(19,26)27)18-21-13-8-7-12(9-14(13)29-18)11-5-3-2-4-6-11/h2-9,16,20H,10H2,1H3,(H2,19,26,27)
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| InChIKey |
JRKXXINBXZAUPN-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: PT01303, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase
Protein ID: PT02150, Lipoprotein lipase
Protein ID: PT01504, Pancreatic triacylglycerol lipase