General Information of the Compound
| Compound ID |
CP0511333
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| Compound Name |
2-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-chlorophenoxy]acetic acid
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| Structure |
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| Formula |
C19H21ClN2O5S
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| Molecular Weight |
424.906
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1CN1CCN(CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H21ClN2O5S/c20-16-6-7-18(27-14-19(23)24)15(12-16)13-21-8-10-22(11-9-21)28(25,26)17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2,(H,23,24)
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| InChIKey |
VEDPQGGGGHKSLY-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