General Information of the Compound
| Compound ID |
CP0387812
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| Compound Name |
2-[3-ethyl-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-iodophenyl)acetamide
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| Structure |
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| Formula |
C22H22IN3O3
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| Molecular Weight |
503.34
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| Canonical SMILES |
CCc1cc(Cc2cccc(OC)c2)c(=O)n(CC(=O)Nc2ccc(I)cc2)n1
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| InChI |
InChI=1S/C22H22IN3O3/c1-3-18-13-16(11-15-5-4-6-20(12-15)29-2)22(28)26(25-18)14-21(27)24-19-9-7-17(23)8-10-19/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,27)
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| InChIKey |
QPAXHVPVXIAMHT-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