General Information of the Compound
| Compound ID |
CP0382870
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| Compound Name |
N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C20H18BrN3O3
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| Molecular Weight |
428.286
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| Canonical SMILES |
COc1cccc(Cc2ccnn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1
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| InChI |
InChI=1S/C20H18BrN3O3/c1-27-18-4-2-3-14(12-18)11-15-9-10-22-24(20(15)26)13-19(25)23-17-7-5-16(21)6-8-17/h2-10,12H,11,13H2,1H3,(H,23,25)
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| InChIKey |
KQXIVNGFJGYBKE-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