General Information of the Compound
| Compound ID |
CP0477800
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| Compound Name |
2-[4-[[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C19H16FNO5S2
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| Molecular Weight |
421.471
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1cccc(F)c1
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| InChI |
InChI=1S/C19H16FNO5S2/c1-12-17(27-19(21-12)13-3-2-4-14(20)9-13)10-26-15-5-7-16(8-6-15)28(24,25)11-18(22)23/h2-9H,10-11H2,1H3,(H,22,23)
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| InChIKey |
RZGRXLWPQMJGHW-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