General Information of the Compound
| Compound ID |
CP0519506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422293, 256
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28Cl2F3N7
|
||||||||||||||||||
| Molecular Weight |
566.459
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1nc2CCN(CCc2c(NCc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28Cl2F3N7/c1-36-11-13-38(14-12-36)25-34-22-7-10-37(24-19(26(29,30)31)3-2-8-32-24)9-6-18(22)23(35-25)33-16-17-4-5-20(27)21(28)15-17/h2-5,8,15H,6-7,9-14,16H2,1H3,(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNSUVNXLUJKSFW-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