General Information of the Compound
| Compound ID |
CP0433195
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| Compound Name |
N-(4-morpholin-4-ylphenyl)-4,6-dioxo-1-[[2-(trifluoromethyl)phenyl]methyl]-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C27H23F3N4O4
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| Molecular Weight |
524.499
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| Canonical SMILES |
FC(F)(F)c1ccccc1Cn1cc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(=O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C27H23F3N4O4/c28-27(29,30)21-4-2-1-3-17(21)15-34-16-20(25(36)24-22(34)9-10-23(35)32-24)26(37)31-18-5-7-19(8-6-18)33-11-13-38-14-12-33/h1-10,16H,11-15H2,(H,31,37)(H,32,35)
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| InChIKey |
BAAPYFXUHMKKPB-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