General Information of the Compound
| Compound ID |
CP0412687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16F3N3O2
|
||||||||||||||||||
| Molecular Weight |
387.361
|
||||||||||||||||||
| Canonical SMILES |
OC1COc2cccc(Nc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16F3N3O2/c21-20(22,23)13-6-4-12(5-7-13)17-9-19(25-11-24-17)26-16-2-1-3-18-15(16)8-14(27)10-28-18/h1-7,9,11,14,27H,8,10H2,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBQUTHJYYXHACE-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