General Information of the Compound
| Compound ID |
CP0372002
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| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(3-cyanophenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H16F2N2O2S
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| Molecular Weight |
446.478
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1cccc(c1)C#N)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H16F2N2O2S/c26-19-8-4-16(5-9-19)23(17-6-10-20(27)11-7-17)25-29-24(21(32-25)13-22(30)31)18-3-1-2-15(12-18)14-28/h1-12,23H,13H2,(H,30,31)
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| InChIKey |
KVCRJXXYQIMWOL-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