General Information of the Compound
| Compound ID |
CP0498426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-4,5-diphenyl-thiophene-3-carboxylic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Synonyms |
2-Amino-4,5-diphenyl-thiophene-3-carboxylic acid ethyl ester
4815-43-4
AC1N2G1O
AKOS026670593
BDBM50299476
CHEMBL291935
Ethyl 2-Amino-4,5-diphenylthiophene-3-carboxylate, 97%, AldrichCPR
Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate
Oprea1_587100
ZINC3064516
ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17NO2S
|
||||||||||||||||||
| Molecular Weight |
323.417
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(N)sc(c1-c1ccccc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17NO2S/c1-2-22-19(21)16-15(13-9-5-3-6-10-13)17(23-18(16)20)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZDXAPZNXDJJMB-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
Clinical Information about the Compound
Drug 1 ( Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate )
| Drug Name | Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate | ||
|---|---|---|---|