General Information of the Compound
| Compound ID |
CP0415871
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| Compound Name |
2-[4-[[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C20H19NO5S2
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| Molecular Weight |
417.508
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1cccc(C)c1
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| InChI |
InChI=1S/C20H19NO5S2/c1-13-4-3-5-15(10-13)20-21-14(2)18(27-20)11-26-16-6-8-17(9-7-16)28(24,25)12-19(22)23/h3-10H,11-12H2,1-2H3,(H,22,23)
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| InChIKey |
DXLRIJJTPATPGA-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