General Information of the Compound
| Compound ID |
CP0504710
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| Compound Name |
4-methyl-2-[5-oxo-1-(4,4,4-trifluorobutyl)-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C17H17F3N6O2S
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| Molecular Weight |
426.424
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CCCC(F)(F)F)c1=O
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| InChI |
InChI=1S/C17H17F3N6O2S/c1-11-13(14(27)22-9-12-4-2-6-21-8-12)29-15(24-11)25-10-23-26(16(25)28)7-3-5-17(18,19)20/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,22,27)
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| InChIKey |
VJVXNAFSDHYZBV-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