General Information of the Compound
| Compound ID |
CP0534722
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| Compound Name |
N-[1-(6-oxo-1H-pyridin-3-yl)ethyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C26H29F3N4O2
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| Molecular Weight |
486.538
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| Canonical SMILES |
CC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
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| InChI |
InChI=1S/C26H29F3N4O2/c1-18(21-2-7-24(34)30-15-21)31-25(35)14-19-8-11-32(12-9-19)16-20-10-13-33(17-20)23-5-3-22(4-6-23)26(27,28)29/h2-7,10,13,15,17-19H,8-9,11-12,14,16H2,1H3,(H,30,34)(H,31,35)
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| InChIKey |
VNTWDOQRHBRZPF-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