General Information of the Compound
| Compound ID |
CP0413862
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| Compound Name |
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C27H24FN3O3
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| Molecular Weight |
457.505
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| Canonical SMILES |
COc1cccc(Cc2cc(nn(CC(=O)Nc3ccc(F)cc3)c2=O)-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C27H24FN3O3/c1-18-6-8-20(9-7-18)25-16-21(14-19-4-3-5-24(15-19)34-2)27(33)31(30-25)17-26(32)29-23-12-10-22(28)11-13-23/h3-13,15-16H,14,17H2,1-2H3,(H,29,32)
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| InChIKey |
PIGFTYCSVKYXPU-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