General Information of the Compound
| Compound ID |
CP0404744
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| Compound Name |
5-chloro-6-oxo-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)-1,6-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C23H22ClF3N4O2
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| Molecular Weight |
478.902
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)c2c[nH]c(=O)c(Cl)c2)c1
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| InChI |
InChI=1S/C23H22ClF3N4O2/c24-20-11-16(12-28-22(20)33)21(32)29-18-6-8-30(9-7-18)13-15-5-10-31(14-15)19-3-1-17(2-4-19)23(25,26)27/h1-5,10-12,14,18H,6-9,13H2,(H,28,33)(H,29,32)
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| InChIKey |
XTKKCHSZIDZKRF-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