General Information of the Compound
| Compound ID |
CP0456930
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| Compound Name |
4-[2-Carbamoyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
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| Structure |
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| Formula |
C23H23NO5S
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| Molecular Weight |
425.506
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| Canonical SMILES |
Cc1ccccc1C(CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C(N)=O
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| InChI |
InChI=1S/C23H23NO5S/c1-15-4-2-3-5-18(15)20(8-9-22(25)26)29-21-12-17(6-7-19(21)23(24)27)28-13-16-10-11-30-14-16/h2-7,10-12,14,20H,8-9,13H2,1H3,(H2,24,27)(H,25,26)
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| InChIKey |
UZQZDWHEAMUWIV-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