General Information of the Compound
| Compound ID |
CP0555704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-(3,3-dimethylbutyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N4O
|
||||||||||||||||||
| Molecular Weight |
378.52
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N4O/c1-5-27-20(25-26-21(27)15-16-23(2,3)4)13-14-22(28)24-19-12-8-10-17-9-6-7-11-18(17)19/h6-12H,5,13-16H2,1-4H3,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYTORUPBBBFZKH-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: PT05439, Nuclear receptor ROR-gamma
Protein ID: PT02663, Nuclear receptor ROR-gamma