General Information of the Compound
| Compound ID |
CP0372503
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| Compound Name |
1-[(2-chloro-6-fluorophenyl)methyl]-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C25H21ClFN3O6
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| Molecular Weight |
513.909
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| Canonical SMILES |
COc1cc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C25H21ClFN3O6/c1-34-19-9-13(10-20(35-2)24(19)36-3)28-25(33)15-12-30(11-14-16(26)5-4-6-17(14)27)18-7-8-21(31)29-22(18)23(15)32/h4-10,12H,11H2,1-3H3,(H,28,33)(H,29,31)
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| InChIKey |
OXBXSLUEODNRHJ-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