3-allyl-2-(butylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
AlkaPlorer ID: AK503175
Synonym: None
IUPAC Name: 2-butylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Structure
SMILES: C=CCN1C(SCCCC)=NC2=C(C1=O)C1(CCCCC1)CC1=CC=CC=C12
InChI: InChI=1S/C24H30N2OS/c1-3-5-16-28-23-25-21-19-12-8-7-11-18(19)17-24(13-9-6-10-14-24)20(21)22(27)26(23)15-4-2/h4,7-8,11-12H,2-3,5-6,9-10,13-17H2,1H3
InChIKey: QPMLYPXHSWZKFJ-UHFFFAOYSA-N
Reference
Expanding the chemical diversity through microorganisms co-culture: Current status and outlook
PubChem CID: 1602323
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 394.5840000000002
TPSA？: 34.89
MolLogP？: 5.7465000000000055
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | GI | 30.0 | % | 10.1016/j.bmc.2013.01.046 |
| Mus musculus | Liver | T1/2 | 0.62 | hr | 10.1016/j.bmc.2013.01.046 |
| Streptococcus pyogenes | Streptococcus pyogenes | T/C | 0.95 | None | 10.1016/j.bmc.2013.01.046 |
| Streptococcus pyogenes | Streptokinase | IC50 | 50000.0 | nM | 10.1016/j.bmc.2013.01.046 |
| Streptococcus pyogenes | Streptokinase | T/C | 0.48 | None | 10.1016/j.bmc.2013.01.046 |
| Streptococcus pyogenes | Streptokinase | T/C | 0.84 | None | 10.1016/j.bmc.2013.01.046 |
| None | No relevant target | Solubility | 3000.0 | nM | 10.1016/j.bmc.2013.01.046 |
| None | No relevant target | Solubility | 9000.0 | nM | 10.1016/j.bmc.2013.01.046 |