General Information of the Compound
| Compound ID |
CP0497017
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| Compound Name |
2-(2-(1,1-diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H20FNO2S
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| Molecular Weight |
417.505
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| Canonical SMILES |
CC(c1nc(c(CC(O)=O)s1)-c1ccc(F)cc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H20FNO2S/c1-25(18-8-4-2-5-9-18,19-10-6-3-7-11-19)24-27-23(21(30-24)16-22(28)29)17-12-14-20(26)15-13-17/h2-15H,16H2,1H3,(H,28,29)
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| InChIKey |
NKUNQYZWFFFZEA-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