General Information of the Compound
| Compound ID |
CP0969020
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| Compound Name |
2-(4-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)ethanesulfonic acid
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| Structure |
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| Formula |
C17H15ClF3NO5S
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| Molecular Weight |
437.823
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| Canonical SMILES |
O=C(NCCS(=O)(=O)O)c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1
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| InChI |
InChI=1S/C17H15ClF3NO5S/c18-14-9-13(17(19,20)21)5-6-15(14)27-10-11-1-3-12(4-2-11)16(23)22-7-8-28(24,25)26/h1-6,9H,7-8,10H2,(H,22,23)(H,24,25,26)
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| InChIKey |
IQJAEAUVRZQGPT-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