General Information of the Compound
| Compound ID |
CP0413865
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| Compound Name |
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C27H24BrN3O4
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| Molecular Weight |
534.41
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| Canonical SMILES |
COc1ccc(Cc2cc(nn(CC(=O)Nc3ccc(Br)cc3)c2=O)-c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C27H24BrN3O4/c1-34-23-11-3-18(4-12-23)15-20-16-25(19-5-13-24(35-2)14-6-19)30-31(27(20)33)17-26(32)29-22-9-7-21(28)8-10-22/h3-14,16H,15,17H2,1-2H3,(H,29,32)
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| InChIKey |
ZWGMKUNSHWUUJH-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