General Information of the Compound
| Compound ID |
CP0466273
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]carbamoyl]pyridine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H13F6N3O3
|
||||||||||||||||||
| Molecular Weight |
469.341
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(nc1)C(=O)N[C@@H](c1ccc(cc1)C(F)(F)F)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H13F6N3O3/c22-20(23,24)13-6-3-11(4-7-13)16(17-14(21(25,26)27)2-1-9-28-17)30-18(31)15-8-5-12(10-29-15)19(32)33/h1-10,16H,(H,30,31)(H,32,33)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBKJTCAKTVORBE-INIZCTEOSA-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: PT03065, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT06117, Transient receptor potential cation channel subfamily M member 8