General Information of the Compound
| Compound ID |
CP0192099
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| Compound Name |
4-Oxo-4-[4-({[5-(phenylsulfonyl)-2-(trifluoromethyl)-phenyl]sulfonyl}amino)piperidin-1-yl]butanoic acid
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| Structure |
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| Formula |
C22H23F3N2O7S2
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| Molecular Weight |
548.561
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| Canonical SMILES |
OC(=O)CCC(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H23F3N2O7S2/c23-22(24,25)18-7-6-17(35(31,32)16-4-2-1-3-5-16)14-19(18)36(33,34)26-15-10-12-27(13-11-15)20(28)8-9-21(29)30/h1-7,14-15,26H,8-13H2,(H,29,30)
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| InChIKey |
MJRLIVFDLFBXET-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