General Information of the Compound
| Compound ID |
CP0422006
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| Compound Name |
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-(4-phenethylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C17H21BrN4O
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| Molecular Weight |
377.286
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| Canonical SMILES |
Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C17H21BrN4O/c1-20-13-15(18)16(19-20)17(23)22-11-9-21(10-12-22)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
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| InChIKey |
PWQGHDPHOSZSAV-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