General Information of the Compound
| Compound ID |
CP0382867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-benzyl-5-[(4-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]-N-(4-bromophenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24BrN3O3
|
||||||||||||||||||
| Molecular Weight |
518.411
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cc2cc(Cc3ccccc3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24BrN3O3/c1-34-25-13-7-20(8-14-25)15-21-17-24(16-19-5-3-2-4-6-19)30-31(27(21)33)18-26(32)29-23-11-9-22(28)10-12-23/h2-14,17H,15-16,18H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFGQHQWDBGAVQM-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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