General Information of the Compound
| Compound ID |
CP0382497
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| Compound Name |
4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
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| Structure |
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| Formula |
C23H15F2N3O5
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| Molecular Weight |
451.385
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| Canonical SMILES |
OC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
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| InChI |
InChI=1S/C23H15F2N3O5/c24-16-2-1-3-17(25)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-13-6-4-12(5-7-13)23(32)33/h1-9,11H,10H2,(H,26,31)(H,27,29)(H,32,33)
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| InChIKey |
RLOUNFJORIFCBI-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