General Information of the Compound
| Compound ID |
CP0382477
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| Compound Name |
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C29H21F2N5O4
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| Molecular Weight |
541.514
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| Canonical SMILES |
Fc1cccc(F)c1Cn1cc(C(=O)Nc2ccc(cc2)C(=O)NCc2ccncc2)c(=O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C29H21F2N5O4/c30-22-2-1-3-23(31)20(22)15-36-16-21(27(38)26-24(36)8-9-25(37)35-26)29(40)34-19-6-4-18(5-7-19)28(39)33-14-17-10-12-32-13-11-17/h1-13,16H,14-15H2,(H,33,39)(H,34,40)(H,35,37)
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| InChIKey |
KSQCYRVHZWATJR-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