General Information of the Compound
| Compound ID |
CP0413860
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| Compound Name |
N-(4-bromophenyl)-2-[3-methyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C21H17BrF3N3O2
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| Molecular Weight |
480.284
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| Canonical SMILES |
Cc1cc(Cc2ccc(cc2)C(F)(F)F)c(=O)n(CC(=O)Nc2ccc(Br)cc2)n1
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| InChI |
InChI=1S/C21H17BrF3N3O2/c1-13-10-15(11-14-2-4-16(5-3-14)21(23,24)25)20(30)28(27-13)12-19(29)26-18-8-6-17(22)7-9-18/h2-10H,11-12H2,1H3,(H,26,29)
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| InChIKey |
DBOOXURLCXBHOK-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT00605, FML2_HUMAN
Protein ID: PT02590, N-formyl peptide receptor 2