General Information of the Compound
| Compound ID |
CP0382518
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| Compound Name |
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(trifluoromethoxy)phenyl]-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C23H14F5N3O4
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| Molecular Weight |
491.372
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| Canonical SMILES |
Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C23H14F5N3O4/c24-16-2-1-3-17(25)14(16)10-31-11-15(21(33)20-18(31)8-9-19(32)30-20)22(34)29-12-4-6-13(7-5-12)35-23(26,27)28/h1-9,11H,10H2,(H,29,34)(H,30,32)
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| InChIKey |
IMEJCGXQUNKMSK-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