General Information of the Compound
| Compound ID |
CP0389315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047092, 61
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
448.836
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(CN2C(Cn3c(nnc3-c3cnccn3)C2=O)C2CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClF3N6O/c21-16-12(2-1-3-13(16)20(22,23)24)9-29-15(11-4-5-11)10-30-17(14-8-25-6-7-26-14)27-28-18(30)19(29)31/h1-3,6-8,11,15H,4-5,9-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYPCVHMKNGFHKW-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7