General Information of the Compound
| Compound ID |
CP0061225
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| Compound Name |
2-benzylsulfonyl-N-[2-(cyclopropylamino)-2-oxoethyl]-2-[6-(6-fluoropyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C26H23FN4O4S2
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| Molecular Weight |
538.626
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| Canonical SMILES |
Fc1ccc(cn1)-c1ccc2nc(sc2c1)C(C(=O)NCC(=O)NC1CC1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C26H23FN4O4S2/c27-22-11-7-18(13-28-22)17-6-10-20-21(12-17)36-26(31-20)24(25(33)29-14-23(32)30-19-8-9-19)37(34,35)15-16-4-2-1-3-5-16/h1-7,10-13,19,24H,8-9,14-15H2,(H,29,33)(H,30,32)
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| InChIKey |
CLHZIKCWBUWLQU-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