General Information of the Compound
| Compound ID |
CP0048985
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| Compound Name |
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-2-methyl-thiazole
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| Structure |
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| Formula |
C17H14FNO2S2
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| Molecular Weight |
347.436
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| Canonical SMILES |
Cc1nc(c(s1)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C17H14FNO2S2/c1-11-19-16(12-5-9-15(10-6-12)23(2,20)21)17(22-11)13-3-7-14(18)8-4-13/h3-10H,1-2H3
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| InChIKey |
ZPMVBXDFUCFRLF-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