None
AlkaPlorer ID: AK322907
Synonym: None
IUPAC Name: N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine
Structure
SMILES: CCCCCCCCN=C1C=CN(CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2)C=C1
InChI: InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3
InChIKey: ZVXNYZWXUADSRV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hylaeus signatus | Hylaeus | Colletidae | Hymenoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 550.9200000000006
TPSA？: 34.58
MolLogP？: 9.633
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Actinomyces viscosus | Actinomyces viscosus | CC | 1.0 | None | 10.1021/jm00118a030 |
| Actinomyces viscosus | Actinomyces viscosus | PBI | 19.2 | None | 10.1021/jm00118a030 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -47.18 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -5.18 | % | 10.6019/CHEMBL4808148 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Streptococcus sobrinus | Streptococcus sobrinus | CC | 1.0 | None | 10.1021/jm00118a030 |
| Streptococcus sobrinus | Streptococcus sobrinus | MBC | 3.2 | mM | 10.1021/jm00118a030 |
| Streptococcus sobrinus | Streptococcus sobrinus | PBI | 25.6 | None | 10.1021/jm00118a030 |