General Information of the Compound
| Compound ID |
CP0495803
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| Compound Name |
1-benzyl-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C25H23N3O6
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| Molecular Weight |
461.474
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| Canonical SMILES |
COc1cc(NC(=O)c2cn(Cc3ccccc3)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C25H23N3O6/c1-32-19-11-16(12-20(33-2)24(19)34-3)26-25(31)17-14-28(13-15-7-5-4-6-8-15)18-9-10-21(29)27-22(18)23(17)30/h4-12,14H,13H2,1-3H3,(H,26,31)(H,27,29)
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| InChIKey |
WDGVDRBYIAAVSA-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