6-hydroxy-6-(2-oxodecyl)-6H,12H-indolo[2,1-b]quinazolin-12-one
AlkaPlorer ID: AK038129
Synonym: None
IUPAC Name: 6-hydroxy-6-(2-oxodecyl)indolo[2,1-b]quinazolin-12-one
Structure
SMILES: CCCCCCCCC(=O)CC1(O)C2=CC=CC=C2N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C25H28N2O3/c1-2-3-4-5-6-7-12-18(28)17-25(30)20-14-9-11-16-22(20)27-23(29)19-13-8-10-15-21(19)26-24(25)27/h8-11,13-16,30H,2-7,12,17H2,1H3
InChIKey: FVKQQBYLKYVOGQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaius mishmensis | Phaius | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 404.51000000000016
TPSA？: 72.19
MolLogP？: 4.6448000000000045
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | IC50 | 40500.0 | nM | 10.1021/np800064w |
| Homo sapiens | NCI-H460 | IC50 | 42800.0 | nM | 10.1021/np800064w |
| Homo sapiens | SF-268 | IC50 | 50000.0 | nM | 10.1021/np800064w |