General Information of the Compound
| Compound ID |
CP0470819
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| Compound Name |
4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)ethyl)pyridine
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| Structure |
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| Formula |
C20H23N3S
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| Molecular Weight |
337.492
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| Canonical SMILES |
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
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| InChI |
InChI=1S/C20H23N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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| InChIKey |
YQIPYEQUGQGKAM-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