General Information of the Compound
| Compound ID |
CP0425734
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| Compound Name |
1-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}-4-{[4-(trifluoromethyl)benzyl]oxy}pyridin-2(1H)-one
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| Structure |
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| Formula |
C25H25F3N2O3
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| Molecular Weight |
458.48
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| Canonical SMILES |
FC(F)(F)c1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1
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| InChI |
InChI=1S/C25H25F3N2O3/c26-25(27,28)20-5-3-19(4-6-20)18-33-23-11-14-30(24(31)17-23)21-7-9-22(10-8-21)32-16-15-29-12-1-2-13-29/h3-11,14,17H,1-2,12-13,15-16,18H2
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| InChIKey |
HPMOYSAWXGTKNO-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2