General Information of the Compound
| Compound ID |
CP0388109
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| Compound Name |
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(3-fluorophenyl)ethyl]-piperazin-1-yl}methanone
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| Structure |
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| Formula |
C17H20BrFN4O
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| Molecular Weight |
395.276
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| Canonical SMILES |
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2cccc(F)c2)CC1
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| InChI |
InChI=1S/C17H20BrFN4O/c1-21-12-15(18)16(20-21)17(24)23-9-7-22(8-10-23)6-5-13-3-2-4-14(19)11-13/h2-4,11-12H,5-10H2,1H3
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| InChIKey |
MMCDYTKWOGXBIZ-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