General Information of the Compound
| Compound ID |
CP0398953
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| Compound Name |
2-[5-(3-Methoxybenzyl)-3-methyl-6-oxo-6H-pyridazin-1-yl]-N-4-tolyl-acetamide
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc(C)cc3)c2=O)c1
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| InChI |
InChI=1S/C22H23N3O3/c1-15-7-9-19(10-8-15)23-21(26)14-25-22(27)18(11-16(2)24-25)12-17-5-4-6-20(13-17)28-3/h4-11,13H,12,14H2,1-3H3,(H,23,26)
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| InChIKey |
KLJDBJOGHBERCE-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: PT02590, N-formyl peptide receptor 2