General Information of the Compound
| Compound ID |
CP0467469
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| Compound Name |
1-(4-Fluorophenyl)-2-[4-(1-methyl-5-trifluoromethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C18H18F4N4O2
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| Molecular Weight |
398.36
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| Canonical SMILES |
Cn1cc(c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F4N4O2/c1-24-10-14(18(20,21)22)16(23-24)17(28)26-8-6-25(7-9-26)11-15(27)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3
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| InChIKey |
MEFMKXUHBCMRKM-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