General Information of the Compound
| Compound ID |
CP0480997
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(NE)-N-(1-aminoethylidene)-5-(4-chlorophenyl)-4-phenyl-N'-[4-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21ClF3N5O3S
|
||||||||||||||||||
| Molecular Weight |
563.989
|
||||||||||||||||||
| Canonical SMILES |
C\C(N)=N/C(=N\S(=O)(=O)c1ccc(OC(F)(F)F)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21ClF3N5O3S/c1-16(30)31-24(33-38(35,36)21-13-11-20(12-14-21)37-25(27,28)29)34-15-22(17-5-3-2-4-6-17)23(32-34)18-7-9-19(26)10-8-18/h2-14,22H,15H2,1H3,(H2,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJIPVRLTXLGCIN-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: PT01715, Cannabinoid receptor 1
Protein ID: PT01998, Cannabinoid receptor 2