General Information of the Compound
| Compound ID |
CP0384378
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| Compound Name |
1-[4-Benzyloxy-3-(4-bromo-2- methyl-2H-pyrazol-3-yl)-phenyl]-3- (4-chloro-phenyl)-urea
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| Structure |
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| Formula |
C24H20BrClN4O2
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| Molecular Weight |
511.807
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| Canonical SMILES |
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C24H20BrClN4O2/c1-30-23(21(25)14-27-30)20-13-19(29-24(31)28-18-9-7-17(26)8-10-18)11-12-22(20)32-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H2,28,29,31)
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| InChIKey |
KNHPQCFZWPOLFQ-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