General Information of the Compound
| Compound ID |
CP0454254
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| Compound Name |
N-(2-pyridin-2-ylethyl)-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C25H27F3N4O
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| Molecular Weight |
456.512
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)C(=O)NCCc2ccccn2)c1
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| InChI |
InChI=1S/C25H27F3N4O/c26-25(27,28)21-4-6-23(7-5-21)32-16-9-19(18-32)17-31-14-10-20(11-15-31)24(33)30-13-8-22-3-1-2-12-29-22/h1-7,9,12,16,18,20H,8,10-11,13-15,17H2,(H,30,33)
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| InChIKey |
BKNLFUYWWCRDDZ-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