General Information of the Compound
Compound ID |
CP0468661
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Compound Name |
2-[6-(3-oxo-1,2-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 |
C19H14N6O5S2
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Molecular Weight |
470.492
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Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc2CNC(=O)c2c1
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InChI |
InChI=1S/C19H14N6O5S2/c20-32(28,29)22-8-15-24-25-18(30-15)16(26)19-23-13-4-3-10(6-14(13)31-19)9-1-2-11-7-21-17(27)12(11)5-9/h1-6,22H,7-8H2,(H,21,27)(H2,20,28,29)
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InChIKey |
MAHUWMXSXAPPEC-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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