General Information of the Compound
| Compound ID |
CP0412064
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| Compound Name |
2-[5-fluoro-6-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazole-2-carbonyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C19H13FN6O5S2
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| Molecular Weight |
488.482
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc2C(=O)NCc2c1
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| InChI |
InChI=1S/C19H13FN6O5S2/c20-12-5-13-14(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)32-19(24-13)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)
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| InChIKey |
ZRAYFKGWJMRLBX-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