General Information of the Compound
| Compound ID |
CP0456057
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| Compound Name |
N-[2-(2-methylimidazol-1-yl)-1-phenylethyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C31H34F3N5O
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| Molecular Weight |
549.641
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| Canonical SMILES |
Cc1nccn1CC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1
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| InChI |
InChI=1S/C31H34F3N5O/c1-23-35-14-18-38(23)22-29(26-5-3-2-4-6-26)36-30(40)19-24-11-15-37(16-12-24)20-25-13-17-39(21-25)28-9-7-27(8-10-28)31(32,33)34/h2-10,13-14,17-18,21,24,29H,11-12,15-16,19-20,22H2,1H3,(H,36,40)
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| InChIKey |
DSZJLBHBEBATRS-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