General Information of the Compound
| Compound ID |
CP0415440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(azepan-1-yl)-5-(5-but-1-ynylthiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26Cl2N4OS
|
||||||||||||||||||
| Molecular Weight |
501.483
|
||||||||||||||||||
| Canonical SMILES |
CCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26Cl2N4OS/c1-3-4-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-6-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3,5-8,14-15H2,1-2H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNVYTDPQYLDLJV-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