General Information of the Compound
| Compound ID |
CP0402285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-bromo-4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19BrN4O
|
||||||||||||||||||
| Molecular Weight |
363.259
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1CN1CCN(CC1)c1cn[nH]c(=O)c1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19BrN4O/c1-12-4-2-3-5-13(12)11-20-6-8-21(9-7-20)14-10-18-19-16(22)15(14)17/h2-5,10H,6-9,11H2,1H3,(H,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIGSHUCAVVQZLX-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: PT05452, Short transient receptor potential channel 5
Protein ID: PT04958, Short transient receptor potential channel 6