General Information of the Compound
| Compound ID |
CP0474090
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| Compound Name |
2-(3-chlorophenoxy)-N-(1-((1-(4-(trifluoromethoxy)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C25H25ClF3N3O3
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| Molecular Weight |
507.94
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)COc2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C25H25ClF3N3O3/c26-19-2-1-3-23(14-19)34-17-24(33)30-20-9-11-31(12-10-20)15-18-8-13-32(16-18)21-4-6-22(7-5-21)35-25(27,28)29/h1-8,13-14,16,20H,9-12,15,17H2,(H,30,33)
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| InChIKey |
KNFCUBWPKYSSNK-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