General Information of the Compound
| Compound ID |
CP0394901
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-(5-benzyl-3-methyl-6-oxopyridazin-1-yl)acetamide
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| Structure |
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| Formula |
C21H19N3O4
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| Molecular Weight |
377.4
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| Canonical SMILES |
Cc1cc(Cc2ccccc2)c(=O)n(CC(=O)Nc2ccc3OCOc3c2)n1
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| InChI |
InChI=1S/C21H19N3O4/c1-14-9-16(10-15-5-3-2-4-6-15)21(26)24(23-14)12-20(25)22-17-7-8-18-19(11-17)28-13-27-18/h2-9,11H,10,12-13H2,1H3,(H,22,25)
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| InChIKey |
ONFIEJUCDATLHE-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