General Information of the Compound
| Compound ID |
CP0520268
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| Compound Name |
2-[4-chloro-2-[2-[4-(2-chlorophenyl)-3-methylsulfonylphenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C23H16Cl2O5S
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| Molecular Weight |
475.349
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| Canonical SMILES |
CS(=O)(=O)c1cc(ccc1-c1ccccc1Cl)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C23H16Cl2O5S/c1-31(28,29)22-12-15(7-10-19(22)18-4-2-3-5-20(18)25)6-8-16-13-17(24)9-11-21(16)30-14-23(26)27/h2-5,7,9-13H,14H2,1H3,(H,26,27)
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| InChIKey |
NCWUAFWVNKBXHB-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