General Information of the Compound
| Compound ID |
CP0852975
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| Compound Name |
1-[3-(4-Bromo-2-isopropyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C20H20BrFN4O2
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| Molecular Weight |
447.308
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C(C)C
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| InChI |
InChI=1S/C20H20BrFN4O2/c1-12(2)26-19(17(21)11-23-26)16-10-15(8-9-18(16)28-3)25-20(27)24-14-6-4-13(22)5-7-14/h4-12H,1-3H3,(H2,24,25,27)
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| InChIKey |
AUGKRYGTYDFPKP-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