General Information of the Compound
| Compound ID |
CP0520267
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| Compound Name |
2-[4-chloro-2-[2-(3-hydroxy-2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-6-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H17ClO6S
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| Molecular Weight |
420.87
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| Canonical SMILES |
CC1(C)C(O)c2ccc(cc2S1(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C20H17ClO6S/c1-20(2)19(24)15-7-4-12(9-17(15)28(20,25)26)3-5-13-10-14(21)6-8-16(13)27-11-18(22)23/h4,6-10,19,24H,11H2,1-2H3,(H,22,23)
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| InChIKey |
JTCDWGSMHJXLBY-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