General Information of the Compound
| Compound ID |
CP0127616
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| Compound Name |
US8987314, B3
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| Structure |
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| Formula |
C17H17FN4O5S3
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| Molecular Weight |
472.545
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| Canonical SMILES |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C17H17FN4O5S3/c1-29(24,25)15(16(23)20-6-7-30(19,26)27)17-22-12-4-2-10(8-13(12)28-17)11-3-5-14(18)21-9-11/h2-5,8-9,15H,6-7H2,1H3,(H,20,23)(H2,19,26,27)
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| InChIKey |
CBLAEKNWNNMTOT-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