General Information of the Compound
Compound ID |
CP0889437
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Compound Name |
1-(3,5-Bis-trifluoromethylphenyl)-3-[3-(4-bromo-2-methyl-2Hpyrazol-3-yl)-4-methoxyphenyl]urea
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Structure |
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Formula |
C20H15BrF6N4O2
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Molecular Weight |
537.258
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Canonical SMILES |
COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1c(Br)cnn1C
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InChI |
InChI=1S/C20H15BrF6N4O2/c1-31-17(15(21)9-28-31)14-8-12(3-4-16(14)33-2)29-18(32)30-13-6-10(19(22,23)24)5-11(7-13)20(25,26)27/h3-9H,1-2H3,(H2,29,30,32)
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InChIKey |
LGBYNYFPEYOEJE-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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