General Information of the Compound
| Compound ID |
CP0396525
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| Compound Name |
2-[4-acetyl-5-(4-methoxyanilino)-3-methyl-6-oxopyridazin-1-yl]-N-(4-bromophenyl)acetamide
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| Structure |
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| Formula |
C22H21BrN4O4
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| Molecular Weight |
485.338
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| Canonical SMILES |
COc1ccc(Nc2c(C(C)=O)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1
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| InChI |
InChI=1S/C22H21BrN4O4/c1-13-20(14(2)28)21(25-17-8-10-18(31-3)11-9-17)22(30)27(26-13)12-19(29)24-16-6-4-15(23)5-7-16/h4-11,25H,12H2,1-3H3,(H,24,29)
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| InChIKey |
VRBJPKODQPKKFN-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