General Information of the Compound
| Compound ID |
CP0535160
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| Compound Name |
N-[phenyl(pyridin-2-yl)methyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C31H31F3N4O
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| Molecular Weight |
532.61
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC(=O)NC(c3ccccc3)c3ccccn3)CC2)c1
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| InChI |
InChI=1S/C31H31F3N4O/c32-31(33,34)26-9-11-27(12-10-26)38-19-15-24(22-38)21-37-17-13-23(14-18-37)20-29(39)36-30(25-6-2-1-3-7-25)28-8-4-5-16-35-28/h1-12,15-16,19,22-23,30H,13-14,17-18,20-21H2,(H,36,39)
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| InChIKey |
UWQWKEPZJZVFAV-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