General Information of the Compound
| Compound ID |
CP0520882
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| Compound Name |
2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-trifluoromethylphenyl)ethanone
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| Structure |
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| Formula |
C18H18BrF3N4O2
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| Molecular Weight |
459.266
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| Canonical SMILES |
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C18H18BrF3N4O2/c1-24-10-14(19)16(23-24)17(28)26-8-6-25(7-9-26)11-15(27)12-2-4-13(5-3-12)18(20,21)22/h2-5,10H,6-9,11H2,1H3
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| InChIKey |
OEQCWJRAIYMJTI-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C