General Information of the Compound
| Compound ID |
CP0908199
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| Compound Name |
5-{2-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-2-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-3-yl]-ethyl}-3H-pyridin-2-one
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| Structure |
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| Formula |
C25H26F2N2O4
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| Molecular Weight |
456.489
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| Canonical SMILES |
CC(C)(O)c1ccc(C(CC2=CCC(=O)N=C2)c2ccc(OC(F)F)c(OC3CC3)c2)cn1
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| InChI |
InChI=1S/C25H26F2N2O4/c1-25(2,31)22-9-5-17(14-28-22)19(11-15-3-10-23(30)29-13-15)16-4-8-20(33-24(26)27)21(12-16)32-18-6-7-18/h3-5,8-9,12-14,18-19,24,31H,6-7,10-11H2,1-2H3
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| InChIKey |
FHOUGFYGTBEGKS-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