General Information of the Compound
| Compound ID |
CP0741196
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| Compound Name |
[5-amino-1-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-[3-(1-oxypyridin-3-yl)phenyl]methanone
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| Structure |
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| Formula |
C21H14F2N4O2
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| Molecular Weight |
392.365
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| Canonical SMILES |
Nc1c(C(=O)c2cccc(-c3ccc[n+]([O-])c3)c2)cnn1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C21H14F2N4O2/c22-16-6-7-19(18(23)10-16)27-21(24)17(11-25-27)20(28)14-4-1-3-13(9-14)15-5-2-8-26(29)12-15/h1-12H,24H2
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| InChIKey |
DQRDCTDOZGNBTG-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