General Information of the Compound
| Compound ID |
CP0120856
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| Compound Name |
US8987314, B101
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| Structure |
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| Formula |
C23H26N4O7S3
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| Molecular Weight |
566.683
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| Canonical SMILES |
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(cc2s1)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C23H26N4O7S3/c1-36(30,31)20(21(28)25-8-13-37(24,32)33)22-26-18-7-6-17(14-19(18)35-22)15-2-4-16(5-3-15)23(29)27-9-11-34-12-10-27/h2-7,14,20H,8-13H2,1H3,(H,25,28)(H2,24,32,33)
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| InChIKey |
JEAMIOQTBZKUMG-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