General Information of the Compound
| Compound ID |
CP0450725
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| Compound Name |
2-[6-(6-fluoropyridin-3-yl)-1,3-benzothiazole-2-carbonyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C16H11FN6O4S2
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| Molecular Weight |
434.434
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C16H11FN6O4S2/c17-12-4-2-9(6-19-12)8-1-3-10-11(5-8)28-16(21-10)14(24)15-23-22-13(27-15)7-20-29(18,25)26/h1-6,20H,7H2,(H2,18,25,26)
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| InChIKey |
POXKHBMFDRWBCM-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