methyl 2,6-bis[(4-nitrophenyl)formamido]hexanoate
AlkaPlorer ID: AK558164
Synonym: None
IUPAC Name: methyl 2,6-bis[(4-nitrobenzoyl)amino]hexanoate
Structure
SMILES: COC(=O)C(CCCCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)NC(=O)C1=CC=C([N+](=O)[O-])C=C1
InChI: InChI=1S/C21H22N4O8/c1-33-21(28)18(23-20(27)15-7-11-17(12-8-15)25(31)32)4-2-3-13-22-19(26)14-5-9-16(10-6-14)24(29)30/h5-12,18H,2-4,13H2,1H3,(H,22,26)(H,23,27)
InChIKey: WHJBDEUJUMNSJS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 458.4270000000002
TPSA？: 170.77999999999997
MolLogP？: 2.3747000000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 631.0 | nM | None |
| Homo sapiens | 78 kDa glucose-regulated protein | Potency | 50118.7 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Fatty acid synthase | IC50 | 33600.0 | nM | None |
| Homo sapiens | Fatty acid synthase | IC50 | 55800.0 | nM | None |
| Homo sapiens | Geminin | Potency | 25929.0 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 89125.1 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 22387.2 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 11220.2 | nM | None |
| Homo sapiens | Rap guanine nucleotide exchange factor 3 | Potency | 2818.4 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 794.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| None | Unchecked | Potency | 3264.3 | nM | None |