None
AlkaPlorer ID: AK324803
Synonym: None
IUPAC Name: (NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
Structure
SMILES: CN(C)CCOC1=CC=C(C2=NC(C3=CC=C4/C(=N\O)CCC4=C3)=C(C3=CC=NC=C3)N2)C=C1
InChI: InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24-
InChIKey: MLSAQOINCGAULQ-QLTSDVKISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Macrorhynchia philippina | Macrorhynchia | Aglaopheniidae | Leptothecata | Hydrozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 453.54600000000016
TPSA？: 86.63
MolLogP？: 4.870600000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | COLO 205 | Activity | None | None | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | Inhibition | None | % | 10.1021/acs.jnatprod.8b00343 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | Inhibition | None | % | 10.1021/acs.jnatprod.8b00343 |