General Information of the Compound
| Compound ID |
CP0126236
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| Compound Name |
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[6-(6-fluoropyridin-3-yl)-1,3-benzothiazol-2-yl]-2-(2-methoxyethylsulfonyl)acetamide
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| Structure |
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| Formula |
C22H23FN4O5S2
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| Molecular Weight |
506.581
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| Canonical SMILES |
COCCS(=O)(=O)C(C(=O)NCC(=O)NC1CC1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C22H23FN4O5S2/c1-32-8-9-34(30,31)20(21(29)25-12-19(28)26-15-4-5-15)22-27-16-6-2-13(10-17(16)33-22)14-3-7-18(23)24-11-14/h2-3,6-7,10-11,15,20H,4-5,8-9,12H2,1H3,(H,25,29)(H,26,28)
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| InChIKey |
BPTVMSHTWFMDLP-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: PT06562, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase