General Information of the Compound
| Compound ID |
CP0456059
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| Compound Name |
N-[1-(6-methoxypyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C30H37F3N4O2
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| Molecular Weight |
542.646
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| Canonical SMILES |
CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(OC)nc1
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| InChI |
InChI=1S/C30H37F3N4O2/c1-3-4-5-27(24-6-11-29(39-2)34-19-24)35-28(38)18-22-12-15-36(16-13-22)20-23-14-17-37(21-23)26-9-7-25(8-10-26)30(31,32)33/h6-11,14,17,19,21-22,27H,3-5,12-13,15-16,18,20H2,1-2H3,(H,35,38)
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| InChIKey |
QHRSOSACJBYXIL-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