General Information of the Compound
| Compound ID |
CP0209340
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| Compound Name |
1-{3-[6-(1-Hydroxy-1-methyl-ethyl)-1-oxy-pyridin-3-yl]-phenyl}-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid cyclopropylamide
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| Structure |
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| Formula |
C26H24N4O4
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| Molecular Weight |
456.502
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| Canonical SMILES |
CC(C)(O)c1ccc(c[n+]1[O-])-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
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| InChI |
InChI=1S/C26H24N4O4/c1-26(2,33)22-11-8-17(14-30(22)34)16-5-3-6-19(13-16)29-15-21(25(32)28-18-9-10-18)23(31)20-7-4-12-27-24(20)29/h3-8,11-15,18,33H,9-10H2,1-2H3,(H,28,32)
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| InChIKey |
GVABMKVKGRIEOY-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: PT00897, Potassium voltage-gated channel subfamily H member 2