General Information of the Compound
| Compound ID |
CP0525016
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| Compound Name |
2-[4-chloro-2-[2-[3-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C24H16ClF3O5S
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| Molecular Weight |
508.901
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| Canonical SMILES |
CS(=O)(=O)c1cc(ccc1-c1ccc(cc1)C(F)(F)F)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C24H16ClF3O5S/c1-34(31,32)22-12-15(2-4-17-13-19(25)9-11-21(17)33-14-23(29)30)3-10-20(22)16-5-7-18(8-6-16)24(26,27)28/h3,5-13H,14H2,1H3,(H,29,30)
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| InChIKey |
ZGDVHJUGCOXDPE-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