General Information of the Compound
| Compound ID |
CP0497086
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| Compound Name |
2-[5-(3-Chloro-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-5-trifluoromethyl-pyridine
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| Structure |
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| Formula |
C12H5ClF3N3OS
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| Molecular Weight |
331.706
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| Canonical SMILES |
FC(F)(F)c1ccc(nc1)-c1noc(n1)-c1sccc1Cl
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| InChI |
InChI=1S/C12H5ClF3N3OS/c13-7-3-4-21-9(7)11-18-10(19-20-11)8-2-1-6(5-17-8)12(14,15)16/h1-5H
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| InChIKey |
UQRQBELNAZQFGA-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