General Information of the Compound
| Compound ID |
CP0492808
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| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(3-(methylsulfonyl)phenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H19F2NO4S2
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| Molecular Weight |
499.56
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H19F2NO4S2/c1-34(31,32)20-4-2-3-17(13-20)24-21(14-22(29)30)33-25(28-24)23(15-5-9-18(26)10-6-15)16-7-11-19(27)12-8-16/h2-13,23H,14H2,1H3,(H,29,30)
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| InChIKey |
SSDHMUHDOKIHJT-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