General Information of the Compound
| Compound ID |
CP0384151
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| Compound Name |
2-[(6-phenyl-1,3-benzothiazol-2-yl)-propan-2-ylsulfonylmethyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C20H21N5O5S3
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| Molecular Weight |
507.619
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| Canonical SMILES |
CC(C)S(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C20H21N5O5S3/c1-12(2)32(26,27)18(19-25-24-17(30-19)11-22-33(21,28)29)20-23-15-9-8-14(10-16(15)31-20)13-6-4-3-5-7-13/h3-10,12,18,22H,11H2,1-2H3,(H2,21,28,29)
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| InChIKey |
IWFZFLLOUMQDCZ-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