General Information of the Compound
| Compound ID |
CP0492408
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| Compound Name |
1-[(2,4-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C26H22F2N4O4
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| Molecular Weight |
492.482
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| Canonical SMILES |
Fc1ccc(Cn2cc(C(=O)Nc3ccc(cc3)N3CCOCC3)c(=O)c3[nH]c(=O)ccc23)c(F)c1
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| InChI |
InChI=1S/C26H22F2N4O4/c27-17-2-1-16(21(28)13-17)14-32-15-20(25(34)24-22(32)7-8-23(33)30-24)26(35)29-18-3-5-19(6-4-18)31-9-11-36-12-10-31/h1-8,13,15H,9-12,14H2,(H,29,35)(H,30,33)
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| InChIKey |
GWHVGRRYOSVLHN-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