General Information of the Compound
| Compound ID |
CP0470821
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| Compound Name |
3-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphenylthio)ethyl)-pyridine
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| Structure |
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| Formula |
C17H14F3N3S
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| Molecular Weight |
349.381
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| Canonical SMILES |
FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
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| InChI |
InChI=1S/C17H14F3N3S/c18-17(19,20)13-3-5-14(6-4-13)24-10-15(16-9-22-11-23-16)12-2-1-7-21-8-12/h1-9,11,15H,10H2,(H,22,23)
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| InChIKey |
DZWHJWIZJPROQA-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