General Information of the Compound
| Compound ID |
CP0376528
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| Compound Name |
3-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)thiazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C25H18F3NO2S
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| Molecular Weight |
453.485
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| Canonical SMILES |
OC(=O)CCc1sc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H18F3NO2S/c26-18-8-4-15(5-9-18)23(16-6-10-19(27)11-7-16)25-29-24(17-2-1-3-20(28)14-17)21(32-25)12-13-22(30)31/h1-11,14,23H,12-13H2,(H,30,31)
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| InChIKey |
KOGPBHKELJXJPX-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