General Information of the Compound
| Compound ID |
CP0554401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10112937, Example 112
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
387.27
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(c2CCN(Cc12)C(=O)c1cccc(Cl)c1Cl)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16Cl2N4O/c1-24-16-11-25(19(26)14-5-2-6-15(20)17(14)21)9-7-13(16)18(23-24)12-4-3-8-22-10-12/h2-6,8,10H,7,9,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGIBTAZIWNWBFB-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