General Information of the Compound
| Compound ID |
CP0378846
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| Compound Name |
4-(Benzyloxy)-1-{4-[(1-methylpiperidin-2-yl)methoxy]-phenyl}pyridin-2(1H)-one
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| Structure |
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| Formula |
C25H28N2O3
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| Molecular Weight |
404.51
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| Canonical SMILES |
CN1CCCCC1COc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C25H28N2O3/c1-26-15-6-5-9-22(26)19-30-23-12-10-21(11-13-23)27-16-14-24(17-25(27)28)29-18-20-7-3-2-4-8-20/h2-4,7-8,10-14,16-17,22H,5-6,9,15,18-19H2,1H3
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| InChIKey |
KTNRAOBLSVMKID-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