General Information of the Compound
Compound ID |
CP0413296
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US9422293, 109
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C23H22Cl2F3N5
|
||||||||||||||||||
Molecular Weight |
496.364
|
||||||||||||||||||
Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C23H22Cl2F3N5/c1-13(2)20-31-19-8-11-33(22-16(23(26,27)28)4-3-9-29-22)10-7-15(19)21(32-20)30-14-5-6-17(24)18(25)12-14/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
InChIKey |
ZZSJKJSXOFQQTO-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