General Information of the Compound
| Compound ID |
CP0488632
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| Compound Name |
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
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| Structure |
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| Formula |
C18H23BrN4O2
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| Molecular Weight |
407.312
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| Canonical SMILES |
COc1ccc(CCN2CCN(CC2)C(=O)c2nn(C)cc2Br)cc1
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| InChI |
InChI=1S/C18H23BrN4O2/c1-21-13-16(19)17(20-21)18(24)23-11-9-22(10-12-23)8-7-14-3-5-15(25-2)6-4-14/h3-6,13H,7-12H2,1-2H3
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| InChIKey |
HGDAGLUEBPHHHL-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