General Information of the Compound
| Compound ID |
CP0880334
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| Compound Name |
1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(4-chloro-3-trifluoromethylphenyl)urea
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| Structure |
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| Formula |
C19H15BrClF3N4O2
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| Molecular Weight |
503.706
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1c(Br)cnn1C
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| InChI |
InChI=1S/C19H15BrClF3N4O2/c1-28-17(14(20)9-25-28)12-7-10(4-6-16(12)30-2)26-18(29)27-11-3-5-15(21)13(8-11)19(22,23)24/h3-9H,1-2H3,(H2,26,27,29)
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| InChIKey |
AODZXHQGKFCEBO-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