ethyl (4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
AlkaPlorer ID: AK428833
Synonym: None
IUPAC Name: ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Structure
SMILES: CCOC(=O)C1=C(C)NC(=O)NC1C1=CC=C(Cl)C=C1
InChI: InChI=1S/C14H15ClN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)
InChIKey: JYWSCUFVWRZFDR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 294.73800000000006
TPSA？: 67.42999999999999
MolLogP？: 2.5310000000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Sus scrofa | Pancreatic alpha-amylase | Inhibition | 0.0 | % | 10.1016/j.bmcl.2014.04.099 |
| None | NON-PROTEIN TARGET | CC50 | 76000.0 | nM | 10.1016/j.bmcl.2016.12.010 |
| None | NON-PROTEIN TARGET | CC50 | 100000.0 | nM | 10.1016/j.bmcl.2016.12.010 |
| None | NON-PROTEIN TARGET | EC50 | 100000.0 | nM | 10.1016/j.bmcl.2016.12.010 |
| None | NON-PROTEIN TARGET | MCC | 100000.0 | nM | 10.1016/j.bmcl.2016.12.010 |
| None | Unchecked | IC50 | 143000.0 | nM | 10.1016/j.ejmech.2012.04.043 |
| None | Unchecked | IC50 | 185000.0 | nM | 10.1016/j.ejmech.2012.04.043 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.ejmech.2012.04.043 |