General Information of the Compound
| Compound ID |
CP0391011
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| Compound Name |
2-[4-chloro-2-[2-(5,5-dioxodibenzothiophen-3-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C22H13ClO5S
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| Molecular Weight |
424.861
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1C#Cc1ccc2-c3ccccc3S(=O)(=O)c2c1
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| InChI |
InChI=1S/C22H13ClO5S/c23-16-8-10-19(28-13-22(24)25)15(12-16)7-5-14-6-9-18-17-3-1-2-4-20(17)29(26,27)21(18)11-14/h1-4,6,8-12H,13H2,(H,24,25)
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| InChIKey |
UXMFLHAANXVUMN-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