6-hydroxy-6-(2-oxocyclopentyl)-6H,12H-indolo[2,1-b]quinazolin-12-one
AlkaPlorer ID: AK038122
Synonym: None
IUPAC Name: 6-hydroxy-6-(2-oxocyclopentyl)indolo[2,1-b]quinazolin-12-one
Structure
SMILES: O=C1CCCC1C1(O)C2=CC=CC=C2N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C20H16N2O3/c23-17-11-5-8-14(17)20(25)13-7-2-4-10-16(13)22-18(24)12-6-1-3-9-15(12)21-19(20)22/h1-4,6-7,9-10,14,25H,5,8,11H2
InChIKey: NRHPRGPVMBPMKF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaius mishmensis | Phaius | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 332.3590000000001
TPSA？: 72.19
MolLogP？: 2.3042
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | IC50 | 19700.0 | nM | 10.1021/np800064w |
| Homo sapiens | MCF7 | IC50 | 20700.0 | nM | 10.1021/np800064w |
| Homo sapiens | NCI-H460 | IC50 | 19100.0 | nM | 10.1021/np800064w |
| Homo sapiens | NCI-H460 | IC50 | 20600.0 | nM | 10.1021/np800064w |
| Homo sapiens | SF-268 | IC50 | 33900.0 | nM | 10.1021/np800064w |
| Homo sapiens | SF-268 | IC50 | 34800.0 | nM | 10.1021/np800064w |