General Information of the Compound
| Compound ID |
CP0554746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10112937, Example 156
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13ClF2N6O
|
||||||||||||||||||
| Molecular Weight |
390.781
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nnn2-c1ncc(F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13ClF2N6O/c1-9-4-15-14(23-24-26(15)17-21-6-11(19)7-22-17)8-25(9)16(27)12-3-2-10(18)5-13(12)20/h2-3,5-7,9H,4,8H2,1H3/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBPCVOQSPYYXDI-VIFPVBQESA-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