General Information of the Compound
| Compound ID |
CP0126235
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| Compound Name |
N-[(cyclopropyl- carbamoyl) methyl]-2-[6-(6- fluoropyridin-3- yl)-1,3- benzothiazol- 2-yl]-2-(3,3,3- trifluoropropane- sulfonyl)acetamide
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| Structure |
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| Formula |
C22H20F4N4O4S2
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| Molecular Weight |
544.552
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| Canonical SMILES |
Fc1ccc(cn1)-c1ccc2nc(sc2c1)C(C(=O)NCC(=O)NC1CC1)S(=O)(=O)CCC(F)(F)F
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| InChI |
InChI=1S/C22H20F4N4O4S2/c23-17-6-2-13(10-27-17)12-1-5-15-16(9-12)35-21(30-15)19(36(33,34)8-7-22(24,25)26)20(32)28-11-18(31)29-14-3-4-14/h1-2,5-6,9-10,14,19H,3-4,7-8,11H2,(H,28,32)(H,29,31)
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| InChIKey |
DTLRWTWWBBABSY-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