General Information of the Compound
| Compound ID |
CP0542266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422293, 385
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28F4N6O2
|
||||||||||||||||||
| Molecular Weight |
544.553
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28F4N6O2/c1-39-25(38)18-8-7-17(16-21(18)28)33-23-19-9-14-36(24-20(27(29,30)31)6-5-11-32-24)15-10-22(19)34-26(35-23)37-12-3-2-4-13-37/h5-8,11,16H,2-4,9-10,12-15H2,1H3,(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LEQUDHBFPZDIRH-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