General Information of the Compound
| Compound ID |
CP0387030
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| Compound Name |
4-methyl-2-[5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C21H17F3N6O2S
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| Molecular Weight |
474.468
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-16-4-2-3-9-25-16)33-19(28-13)29-12-27-30(20(29)32)11-14-5-7-15(8-6-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)
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| InChIKey |
MBZKEYVPSVQGTM-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