General Information of the Compound
| Compound ID |
CP0070448
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| Compound Name |
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C26H24ClFN4O3
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| Molecular Weight |
494.954
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
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| InChI |
InChI=1S/C26H24ClFN4O3/c1-3-31(4-2)17-10-8-16(9-11-17)29-26(35)19-15-32(14-18-20(27)6-5-7-21(18)28)22-12-13-23(33)30-24(22)25(19)34/h5-13,15H,3-4,14H2,1-2H3,(H,29,35)(H,30,33)
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| InChIKey |
WZRPREYJPXVHGG-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