General Information of the Compound
| Compound ID |
CP0390795
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| Compound Name |
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-piperidin-1-ylphenyl)-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C27H24F2N4O3
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| Molecular Weight |
490.51
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| Canonical SMILES |
Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)N2CCCCC2)c(=O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C27H24F2N4O3/c28-21-5-4-6-22(29)19(21)15-33-16-20(26(35)25-23(33)11-12-24(34)31-25)27(36)30-17-7-9-18(10-8-17)32-13-2-1-3-14-32/h4-12,16H,1-3,13-15H2,(H,30,36)(H,31,34)
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| InChIKey |
YWXXHUOLGWQVFB-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