General Information of the Compound
| Compound ID |
CP0104348
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| Compound Name |
1-(2-(pyridin-4-yl)ethyl)-N-(3-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C18H15F3N4O2
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| Molecular Weight |
376.338
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| Canonical SMILES |
FC(F)(F)Oc1cccc(NC(=O)c2ccnn2CCc2ccncc2)c1
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| InChI |
InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-2-14(12-15)24-17(26)16-6-10-23-25(16)11-7-13-4-8-22-9-5-13/h1-6,8-10,12H,7,11H2,(H,24,26)
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| InChIKey |
JPYJLCWJVPPQLC-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