General Information of the Compound
| Compound ID |
CP0517232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422293, 29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19F3N6
|
||||||||||||||||||
| Molecular Weight |
436.441
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(Nc2ncnc3CCN(CCc23)c2cnc3ccccc3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19F3N6/c24-23(25,26)15-5-7-16(8-6-15)30-22-17-9-11-32(12-10-18(17)28-14-29-22)21-13-27-19-3-1-2-4-20(19)31-21/h1-8,13-14H,9-12H2,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONUMOGMQZQBLNJ-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