General Information of the Compound
| Compound ID |
CP0382499
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| Compound Name |
1-[(2,6-difluorophenyl)methyl]-N-[4-(morpholine-4-carbonyl)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C27H22F2N4O5
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| Molecular Weight |
520.492
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| Canonical SMILES |
Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)c(=O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C27H22F2N4O5/c28-20-2-1-3-21(29)18(20)14-33-15-19(25(35)24-22(33)8-9-23(34)31-24)26(36)30-17-6-4-16(5-7-17)27(37)32-10-12-38-13-11-32/h1-9,15H,10-14H2,(H,30,36)(H,31,34)
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| InChIKey |
JNBFORLQLVKROC-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