1-benzylazepan-2-one
AlkaPlorer ID: AK108120
Synonym: None
IUPAC Name: 1-benzylazepan-2-one
Structure
SMILES: O=C1CCCCCN1CC1=CC=CC=C1
InChI: InChI=1S/C13H17NO/c15-13-9-5-2-6-10-14(13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey: DJGIITKNTHQYPX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 203.28500000000005
TPSA？: 20.31
MolLogP？: 2.589200000000001
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 22387.2 | nM | None |
| Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 | Potency | 6309.6 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | Potency | 29934.9 | nM | None |
| Macaca fascicularis | T-complex protein 1 subunit beta | Potency | 22387.2 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -6.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 16511.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 0.75 | None | 10.6019/CHEMBL4888484 |
| None | Unchecked | Potency | 130.0 | nM | None |
| None | Unchecked | Potency | 562.3 | nM | None |