General Information of the Compound
| Compound ID |
CP0524645
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| Compound Name |
4-[(3-Chlorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H25ClN2O3
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| Molecular Weight |
424.928
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| Canonical SMILES |
Clc1cccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)c1
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| InChI |
InChI=1S/C24H25ClN2O3/c25-20-5-3-4-19(16-20)18-30-23-10-13-27(24(28)17-23)21-6-8-22(9-7-21)29-15-14-26-11-1-2-12-26/h3-10,13,16-17H,1-2,11-12,14-15,18H2
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| InChIKey |
LSDCVVODSBVDMA-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