General Information of the Compound
| Compound ID |
CP0407763
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| Compound Name |
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N,N,2-trimethylpropanamide
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| Structure |
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| Formula |
C22H28N2O4S
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| Molecular Weight |
416.543
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N(C)C)cc1
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| InChI |
InChI=1S/C22H28N2O4S/c1-6-29(27,28)19-13-7-16(8-14-19)15-20(25)23-18-11-9-17(10-12-18)22(2,3)21(26)24(4)5/h7-14H,6,15H2,1-5H3,(H,23,25)
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| InChIKey |
XDNHZEZVJTXHGD-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