General Information of the Compound
| Compound ID |
CP0444923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422293, 195
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F6N8
|
||||||||||||||||||
| Molecular Weight |
554.543
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCN(C)c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F6N8/c1-37(2)13-14-38(3)23-34-19-9-12-39(22-18(25(29,30)31)5-4-10-32-22)11-8-17(19)21(36-23)35-20-7-6-16(15-33-20)24(26,27)28/h4-7,10,15H,8-9,11-14H2,1-3H3,(H,33,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFDKUKRYQONBAT-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1