General Information of the Compound
| Compound ID |
CP0852976
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| Compound Name |
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-phenethyloxyphenyl]-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C25H22BrClN4O2
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| Molecular Weight |
525.834
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| Canonical SMILES |
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCc1ccccc1
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| InChI |
InChI=1S/C25H22BrClN4O2/c1-31-24(22(26)16-28-31)21-15-20(30-25(32)29-19-9-7-18(27)8-10-19)11-12-23(21)33-14-13-17-5-3-2-4-6-17/h2-12,15-16H,13-14H2,1H3,(H2,29,30,32)
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| InChIKey |
DWWNKZZQDZOLGU-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