General Information of the Compound
| Compound ID |
CP0492920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422293, 108
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26Cl2F3N5
|
||||||||||||||||||
| Molecular Weight |
524.418
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(NCCc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26Cl2F3N5/c1-15(2)22-33-21-9-13-35(24-18(25(28,29)30)4-3-10-32-24)12-8-17(21)23(34-22)31-11-7-16-5-6-19(26)20(27)14-16/h3-6,10,14-15H,7-9,11-13H2,1-2H3,(H,31,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTMRTCFXRGNTCE-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