General Information of the Compound
| Compound ID |
CP0409796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047092, 84
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15ClN6O3
|
||||||||||||||||||
| Molecular Weight |
398.81
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cc2OCOc2cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15ClN6O3/c1-10-7-25-16(13-6-20-2-3-21-13)22-23-17(25)18(26)24(10)8-11-4-14-15(5-12(11)19)28-9-27-14/h2-6,10H,7-9H2,1H3/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEGDCDFUXYYEBM-JTQLQIEISA-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