None
AlkaPlorer ID: AK323695
Synonym: None
IUPAC Name: (5R)-3-(3-azidopropyl)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2-one
Structure
SMILES: C=C/C(C)=C/[C@@]1(C)SC(=O)C(CCCN=[N+]=[N-])=C1O
InChI: InChI=1S/C13H17N3O2S/c1-4-9(2)8-13(3)11(17)10(12(18)19-13)6-5-7-15-16-14/h4,8,17H,1,5-7H2,2-3H3/b9-8+/t13-/m1/s1
InChIKey: DEBFCQYYJPJZEV-MMQHEFTJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 279.36499999999995
TPSA？: 86.06
MolLogP？: 4.053400000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Francisella tularensis | Francisella tularensis | MIC90 | 23.6 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 100.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 64.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 100.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Yersinia pestis | Yersinia pestis | MIC90 | 250.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |