General Information of the Compound
| Compound ID |
CP0387820
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| Compound Name |
N-(4-bromophenyl)-2-[5-(3-methoxybenzoyl)-3-methyl-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C21H18BrN3O4
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| Molecular Weight |
456.296
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| Canonical SMILES |
COc1cccc(c1)C(=O)c1cc(C)nn(CC(=O)Nc2ccc(Br)cc2)c1=O
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| InChI |
InChI=1S/C21H18BrN3O4/c1-13-10-18(20(27)14-4-3-5-17(11-14)29-2)21(28)25(24-13)12-19(26)23-16-8-6-15(22)7-9-16/h3-11H,12H2,1-2H3,(H,23,26)
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| InChIKey |
LVXGAEPFJDNERL-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