General Information of the Compound
| Compound ID |
CP0488640
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| Compound Name |
2-[4-(4-Chloro-1-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
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| Structure |
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| Formula |
C18H20ClFN4O2
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| Molecular Weight |
378.835
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| Canonical SMILES |
CCn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C18H20ClFN4O2/c1-2-24-11-15(19)17(21-24)18(26)23-9-7-22(8-10-23)12-16(25)13-3-5-14(20)6-4-13/h3-6,11H,2,7-10,12H2,1H3
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| InChIKey |
BGSXCNQHFNNWSV-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