General Information of the Compound
| Compound ID |
CP0459218
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| Compound Name |
2-[2-[2-(3-propylsulfonylphenyl)ethynyl]-3-thiophen-3-ylphenoxy]acetic acid
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| Structure |
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| Formula |
C23H20O5S2
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| Molecular Weight |
440.542
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| Canonical SMILES |
CCCS(=O)(=O)c1cccc(c1)C#Cc1c(OCC(O)=O)cccc1-c1ccsc1
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| InChI |
InChI=1S/C23H20O5S2/c1-2-13-30(26,27)19-6-3-5-17(14-19)9-10-21-20(18-11-12-29-16-18)7-4-8-22(21)28-15-23(24)25/h3-8,11-12,14,16H,2,13,15H2,1H3,(H,24,25)
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| InChIKey |
OPULUTQJBDTEGT-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