General Information of the Compound
| Compound ID |
CP0229634
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| Compound Name |
1-phenyl-2-[[4-(trifluoromethyl)benzyl]thio]imidazole
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| Structure |
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| Formula |
C17H13F3N2S
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| Molecular Weight |
334.366
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| Canonical SMILES |
FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1
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| InChI |
InChI=1S/C17H13F3N2S/c18-17(19,20)14-8-6-13(7-9-14)12-23-16-21-10-11-22(16)15-4-2-1-3-5-15/h1-11H,12H2
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| InChIKey |
BLFXIQOXFXUXCT-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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