General Information of the Compound
| Compound ID |
CP0116164
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| Compound Name |
ethyl 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
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| Structure |
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| Formula |
C22H27NO5S
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| Molecular Weight |
417.527
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| Canonical SMILES |
CCOC(=O)C(C)(C)c1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1
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| InChI |
InChI=1S/C22H27NO5S/c1-5-28-21(25)22(3,4)17-9-11-18(12-10-17)23-20(24)15-16-7-13-19(14-8-16)29(26,27)6-2/h7-14H,5-6,15H2,1-4H3,(H,23,24)
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| InChIKey |
FHABWAHHBSKNOS-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