General Information of the Compound
| Compound ID |
CP0345817
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| Compound Name |
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-benzoic acid methyl ester
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| Structure |
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| Formula |
C22H16FN3O2
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| Molecular Weight |
373.387
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
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| InChI |
InChI=1S/C22H16FN3O2/c1-28-22(27)17-4-2-16(3-5-17)21-25-19(14-6-8-18(23)9-7-14)20(26-21)15-10-12-24-13-11-15/h2-13H,1H3,(H,25,26)
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| InChIKey |
GUZODAKISVJZOY-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