General Information of the Compound
| Compound ID |
CP0407838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10053462, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12ClF4N5OS
|
||||||||||||||||||
| Molecular Weight |
457.84
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cscn4)n2C3)c(Cl)c1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12ClF4N5OS/c19-14-9(2-3-10(20)13(14)18(21,22)23)17(29)28-8-1-4-12(28)16-26-25-15(27(16)5-8)11-6-30-7-24-11/h2-3,6-8,12H,1,4-5H2/t8-,12+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQVQQNCOTWFYGO-QPUJVOFHSA-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