General Information of the Compound
| Compound ID |
CP0418996
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| Compound Name |
2-[2-[2-(5-benzylsulfonyl-2-methylphenyl)ethynyl]-4-chlorophenoxy]acetic acid
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| Structure |
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| Formula |
C24H19ClO5S
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| Molecular Weight |
454.931
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| Canonical SMILES |
Cc1ccc(cc1C#Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C24H19ClO5S/c1-17-7-11-22(31(28,29)16-18-5-3-2-4-6-18)14-19(17)8-9-20-13-21(25)10-12-23(20)30-15-24(26)27/h2-7,10-14H,15-16H2,1H3,(H,26,27)
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| InChIKey |
PQWYAEKOFJGWSQ-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