General Information of the Compound
| Compound ID |
CP0260609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9499542, 13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14N6
|
||||||||||||||||||
| Molecular Weight |
314.352
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXZAJGJUAVDOEK-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