General Information of the Compound
| Compound ID |
CP0413010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-methyl-5-naphthalen-1-ylpyrazol-3-yl)pyridazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14N4
|
||||||||||||||||||
| Molecular Weight |
286.338
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(cc1-c1cccnn1)-c1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N4/c1-22-18(16-10-5-11-19-20-16)12-17(21-22)15-9-4-7-13-6-2-3-8-14(13)15/h2-12H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQXTUUPFLDNRNQ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C