General Information of the Compound
| Compound ID |
CP0457176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-bromo-8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17BrF3N3O
|
||||||||||||||||||
| Molecular Weight |
464.285
|
||||||||||||||||||
| Canonical SMILES |
OC1CCc2c(Br)ccc(Nc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17BrF3N3O/c22-17-7-8-18(16-9-14(29)5-6-15(16)17)28-20-10-19(26-11-27-20)12-1-3-13(4-2-12)21(23,24)25/h1-4,7-8,10-11,14,29H,5-6,9H2,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJZHLKGGAKMHSR-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1