General Information of the Compound
| Compound ID |
CP0506024
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| Compound Name |
2-(4-chloro-2-((4-(4-fluorophenylsulfonyl)piperazin-1-yl)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C19H20ClFN2O5S
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| Molecular Weight |
442.896
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H20ClFN2O5S/c20-15-1-6-18(28-13-19(24)25)14(11-15)12-22-7-9-23(10-8-22)29(26,27)17-4-2-16(21)3-5-17/h1-6,11H,7-10,12-13H2,(H,24,25)
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| InChIKey |
YEPKGHKIZDVJEY-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