General Information of the Compound
| Compound ID |
CP0530146
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| Compound Name |
5-Oxo-5-[3-(thiophen-3-ylmethoxy)-phenyl]-4-o-tolyl-pentanoic acid
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| Structure |
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| Formula |
C23H22O4S
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| Molecular Weight |
394.492
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| Canonical SMILES |
Cc1ccccc1C(CCC(O)=O)C(=O)c1cccc(OCc2ccsc2)c1
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| InChI |
InChI=1S/C23H22O4S/c1-16-5-2-3-8-20(16)21(9-10-22(24)25)23(26)18-6-4-7-19(13-18)27-14-17-11-12-28-15-17/h2-8,11-13,15,21H,9-10,14H2,1H3,(H,24,25)
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| InChIKey |
DHSRZCIYOWGXNT-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