General Information of the Compound
| Compound ID |
CP0387583
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| Compound Name |
N-(4-iodophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C21H20IN3O3
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| Molecular Weight |
489.313
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| Canonical SMILES |
COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(I)cc3)c2=O)c1
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| InChI |
InChI=1S/C21H20IN3O3/c1-14-10-16(11-15-4-3-5-19(12-15)28-2)21(27)25(24-14)13-20(26)23-18-8-6-17(22)7-9-18/h3-10,12H,11,13H2,1-2H3,(H,23,26)
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| InChIKey |
CRXUEUHJLRJWGE-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