General Information of the Compound
| Compound ID |
CP0434453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4439862
Show/Hide
|
||||||||||||||||||
| Formula |
C16H11N3O
|
||||||||||||||||||
| Molecular Weight |
261.284
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc2nc3\C(=N/O)c4ccccc4-c3nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11N3O/c1-9-5-4-8-12-13(9)18-14-10-6-2-3-7-11(10)15(19-20)16(14)17-12/h2-8,20H,1H3/b19-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJWZDMQTDMVQQB-CYVLTUHYSA-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 | |||||||||||||||||||
| 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: PT00998, Mitogen-activated protein kinase 10
Protein ID: PT00863, Mitogen-activated protein kinase 8
Protein ID: PT00872, Mitogen-activated protein kinase 9