General Information of the Compound
| Compound ID |
CP0011976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]benzonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C18H13N3O3
|
||||||||||||||||||
| Molecular Weight |
319.32
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H13N3O3/c1-24-14-8-3-2-7-13(14)15-16(18(23)21-17(15)22)20-12-6-4-5-11(9-12)10-19/h2-9H,1H3,(H2,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRZIGHVWJFDSFR-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 | |||||||||||||||||||
| 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: PT01400, Dual specificity protein kinase CLK4
Protein ID: PT00931, Glycogen synthase kinase-3 alpha
Protein ID: PT01230, Serine/threonine-protein kinase 10
Protein ID: PT01185, Serine/threonine-protein kinase 25
Protein ID: PT02071, Serine/threonine-protein kinase DCLK3
Protein ID: PT01977, Serine/threonine-protein kinase ICK
Protein ID: PT02087, Serine/threonine-protein kinase tousled-like 2
Protein ID: PT00960, STE20-like serine/threonine-protein kinase
Protein ID: PT00892, Tyrosine-protein kinase JAK3