General Information of the Compound
| Compound ID |
CP0446436
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-aminophenyl)-3-cyano-6-(2-methoxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18N4O2S
|
||||||||||||||||||
| Molecular Weight |
426.501
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2cccs2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18N4O2S/c1-30-21-9-3-2-8-17(21)20-13-18(15-6-4-7-16(26)12-15)19(14-25)23(27-20)28-24(29)22-10-5-11-31-22/h2-13H,26H2,1H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDBQURIQMRYVCR-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