General Information of the Compound
| Compound ID |
CP0473681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-bromophenyl)-2-[5-[(2-fluorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19BrFN3O2
|
||||||||||||||||||
| Molecular Weight |
444.304
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2ccccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19BrFN3O2/c1-13-11-16(12-15-5-3-4-6-19(15)23)21(28)26(25-13)14(2)20(27)24-18-9-7-17(22)8-10-18/h3-11,14H,12H2,1-2H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLGKNGYSHVZTDH-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