General Information of the Compound
| Compound ID |
CP0433275
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| Compound Name |
2-[4-chloro-2-[2-(3-methoxy-2,2,3-trimethyl-1,1-dioxo-1-benzothiophen-6-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C22H21ClO6S
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| Molecular Weight |
448.924
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| Canonical SMILES |
COC1(C)c2ccc(cc2S(=O)(=O)C1(C)C)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C22H21ClO6S/c1-21(2)22(3,28-4)17-9-6-14(11-19(17)30(21,26)27)5-7-15-12-16(23)8-10-18(15)29-13-20(24)25/h6,8-12H,13H2,1-4H3,(H,24,25)
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| InChIKey |
XFLHKQYOOKJMSE-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