General Information of the Compound
| Compound ID |
CP0454255
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| Compound Name |
N-[(1-methylpyrrol-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 |
C25H29F3N4O
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| Molecular Weight |
458.528
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| Canonical SMILES |
Cn1cccc1CNC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C25H29F3N4O/c1-30-11-2-3-23(30)16-29-24(33)15-19-8-12-31(13-9-19)17-20-10-14-32(18-20)22-6-4-21(5-7-22)25(26,27)28/h2-7,10-11,14,18-19H,8-9,12-13,15-17H2,1H3,(H,29,33)
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| InChIKey |
NKTMNGMXYFVHFC-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