General Information of the Compound
| Compound ID |
CP0409841
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10323032, Example 60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H12ClF6N5O
|
||||||||||||||||||
| Molecular Weight |
475.78
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H12ClF6N5O/c20-14-10(2-1-3-11(14)18(21,22)23)16(32)31-7-5-9-13(8-31)28-17(19(24,25)26)29-15(9)12-4-6-27-30-12/h1-4,6H,5,7-8H2,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQGBETIRAPTCKU-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