General Information of the Compound
| Compound ID |
CP0506025
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| Compound Name |
2-(2-((4-(benzylsulfonyl)piperazin-1-yl)methyl)-4-chlorophenoxy)acetic acid
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| Structure |
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| Formula |
C20H23ClN2O5S
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| Molecular Weight |
438.933
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C20H23ClN2O5S/c21-18-6-7-19(28-14-20(24)25)17(12-18)13-22-8-10-23(11-9-22)29(26,27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,24,25)
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| InChIKey |
JBBOMVFXXYZQQP-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