General Information of the Compound
| Compound ID |
CP0486285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422293, 78B
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F3N7
|
||||||||||||||||||
| Molecular Weight |
453.472
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C#N)n1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F3N7/c1-32(2)22-30-19-10-13-33(21-18(23(24,25)26)4-3-11-28-21)12-9-17(19)20(31-22)29-16-7-5-15(14-27)6-8-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZDJMMFXQWXXIA-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