None
AlkaPlorer ID: AK323694
Synonym: None
IUPAC Name: (5R)-3-(4-azidobutyl)-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(CCCCN=[N+]=[N-])=C1O
InChI: InChI=1S/C14H19N3O2S/c1-4-10(2)9-14(3)12(18)11(13(19)20-14)7-5-6-8-16-17-15/h4,9,18H,1,5-8H2,2-3H3/b10-9+/t14-/m1/s1
InChIKey: YWCFDTCBMVZYIG-ATWMFIQVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 293.39199999999994
TPSA？: 86.06
MolLogP？: 4.443500000000004
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 | 15.3 | 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 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | Kd | 107200.0 | nM | 10.1021/acs.jmedchem.6b00236 |
| Staphylococcus aureus | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | Kd | nan | None | 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 |