General Information of the Compound
| Compound ID |
CP0495805
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| Compound Name |
1-[(2-bromophenyl)methyl]-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide
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| Structure |
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| Formula |
C25H22BrN3O6
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| Molecular Weight |
540.37
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| Canonical SMILES |
COc1cc(NC(=O)c2cn(Cc3ccccc3Br)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C25H22BrN3O6/c1-33-19-10-15(11-20(34-2)24(19)35-3)27-25(32)16-13-29(12-14-6-4-5-7-17(14)26)18-8-9-21(30)28-22(18)23(16)31/h4-11,13H,12H2,1-3H3,(H,27,32)(H,28,30)
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| InChIKey |
HGMMMFSRPZKZDL-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