General Information of the Compound
| Compound ID |
CP0396517
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| Compound Name |
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C24H20FN3O3S
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| Molecular Weight |
449.507
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| Canonical SMILES |
COc1cccc(Cc2cc(nn(CC(=O)Nc3ccc(F)cc3)c2=O)-c2cccs2)c1
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| InChI |
InChI=1S/C24H20FN3O3S/c1-31-20-5-2-4-16(13-20)12-17-14-21(22-6-3-11-32-22)27-28(24(17)30)15-23(29)26-19-9-7-18(25)8-10-19/h2-11,13-14H,12,15H2,1H3,(H,26,29)
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| InChIKey |
SQNPGQUQGQNXHK-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