General Information of the Compound
| Compound ID |
CP0411161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23Cl3N4O
|
||||||||||||||||||
| Molecular Weight |
537.878
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23Cl3N4O/c1-17(24-7-2-3-14-32-24)33-28(36)26-22-6-4-5-19(15-18-8-10-20(29)11-9-18)27(22)35(34-26)25-13-12-21(30)16-23(25)31/h2-3,7-17H,4-6H2,1H3,(H,33,36)/b19-15+/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJRORIVCMARHTK-VXNZKSKFSA-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