General Information of the Compound
| Compound ID |
CP0096948
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| Compound Name |
4-[4-(2-ethoxyethoxy)-5-methyl-1,3-thiazol-2-yl]benzoic acid
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| Structure |
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| Formula |
C15H17NO4S
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| Molecular Weight |
307.371
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| Canonical SMILES |
CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C15H17NO4S/c1-3-19-8-9-20-13-10(2)21-14(16-13)11-4-6-12(7-5-11)15(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)
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| InChIKey |
BXLYSGAPEKJSCL-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