General Information of the Compound
| Compound ID |
CP0407210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10323032, Example 54
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
450.852
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18ClF3N6O/c1-29(2)19-26-15-10-30(9-7-11(15)17(27-19)14-6-8-25-28-14)18(31)12-4-3-5-13(16(12)21)20(22,23)24/h3-6,8H,7,9-10H2,1-2H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXRQFBZSLBHOQD-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