General Information of the Compound
| Compound ID |
CP0037344
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| Compound Name |
N-(2-fluoro-4-methylphenyl)-4-(pyridin-4-ylmethylamino)-1,2-thiazole-3-carboxamide
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| Structure |
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| Formula |
C17H15FN4OS
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| Molecular Weight |
342.399
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| Canonical SMILES |
Cc1ccc(NC(=O)c2nscc2NCc2ccncc2)c(F)c1
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| InChI |
InChI=1S/C17H15FN4OS/c1-11-2-3-14(13(18)8-11)21-17(23)16-15(10-24-22-16)20-9-12-4-6-19-7-5-12/h2-8,10,20H,9H2,1H3,(H,21,23)
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| InChIKey |
UZURVUGOBZNVIY-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