General Information of the Compound
| Compound ID |
CP0845374
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| Compound Name |
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-trifluoromethoxyphenyl]-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C18H13BrClF3N4O2
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| Molecular Weight |
489.679
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| Canonical SMILES |
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)(F)F
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| InChI |
InChI=1S/C18H13BrClF3N4O2/c1-27-16(14(19)9-24-27)13-8-12(6-7-15(13)29-18(21,22)23)26-17(28)25-11-4-2-10(20)3-5-11/h2-9H,1H3,(H2,25,26,28)
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| InChIKey |
JCEKFLMKRPIGFR-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