General Information of the Compound
| Compound ID |
CP0259244
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| Compound Name |
N-[(cyclopropyl- carbamoyl) methyl]-2-[6-(6- fluoropyridin-3- yl)-1,3- benzothiazol- 2-yl]-2- methanesulfonyl- acetamide
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| Structure |
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| Formula |
C20H19FN4O4S2
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| Molecular Weight |
462.528
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| Canonical SMILES |
CS(=O)(=O)C(C(=O)NCC(=O)NC1CC1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C20H19FN4O4S2/c1-31(28,29)18(19(27)23-10-17(26)24-13-4-5-13)20-25-14-6-2-11(8-15(14)30-20)12-3-7-16(21)22-9-12/h2-3,6-9,13,18H,4-5,10H2,1H3,(H,23,27)(H,24,26)
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| InChIKey |
ZQLFQCLIZZQIPD-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