General Information of the Compound
| Compound ID |
CP0937121
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9096596, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14Cl2FN5O
|
||||||||||||||||||
| Molecular Weight |
406.248
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(Cl)c(F)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14Cl2FN5O/c1-9-16-11(17(23-8-22-16)13-4-6-24-25-13)5-7-26(9)18(27)10-2-3-12(19)15(21)14(10)20/h2-4,6,8-9H,5,7H2,1H3,(H,24,25)/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOJONRQOONJVNB-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