General Information of the Compound
| Compound ID |
CP0409586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cycloheptyl-2-[(4-fluorophenyl)methyl]-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26FN3O2
|
||||||||||||||||||
| Molecular Weight |
431.511
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cn2nc-3c(Cc4ccccc-34)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26FN3O2/c27-19-13-11-17(12-14-19)16-30-26(32)23(25(31)28-20-8-3-1-2-4-9-20)22-15-18-7-5-6-10-21(18)24(22)29-30/h5-7,10-14,20H,1-4,8-9,15-16H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWOHMPGXNNRQRM-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2