General Information of the Compound
| Compound ID |
CP0373858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-phenylbut-1-ynyl)thiophen-2-yl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28Cl2N4OS
|
||||||||||||||||||
| Molecular Weight |
563.554
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(nn(c1-c1ccc(s1)C#CCCc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28Cl2N4OS/c1-21-28(30(37)34-35-18-8-3-9-19-35)33-36(26-16-14-23(31)20-25(26)32)29(21)27-17-15-24(38-27)13-7-6-12-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,20H,3,6,8-9,12,18-19H2,1H3,(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLWJMTCYPFQWGT-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