General Information of the Compound
| Compound ID |
CP0492561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10112937, Example 76
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H14ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
482.853
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(C(=O)N2C=Cc3c(nnn3-c3cnccn3)C2c2ccccc2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H14ClF3N6O/c24-19-15(7-4-8-16(19)23(25,26)27)22(34)32-12-9-17-20(21(32)14-5-2-1-3-6-14)30-31-33(17)18-13-28-10-11-29-18/h1-13,21H
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGKRIXUZLHLZOB-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