General Information of the Compound
| Compound ID |
CP0382478
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| Compound Name |
1-[(2,6-difluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C23H17F2N3O5S
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| Molecular Weight |
485.468
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| Canonical SMILES |
CS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
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| InChI |
InChI=1S/C23H17F2N3O5S/c1-34(32,33)14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
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| InChIKey |
PBSPWZJAIFKDCS-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
Protein ID: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A