None
AlkaPlorer ID: AK323692
Synonym: None
IUPAC Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-[2-[[2-[(2R)-2-methyl-2-[(1E)-2-methylbuta-1,3-dienyl]-5-oxothiophen-3-yl]oxyacetyl]amino]ethyl]triazol-4-yl]methyl]benzamide
Structure
SMILES: C=C/C(C)=C/[C@@]1(C)SC(=O)C=C1OCC(O)=NCCN1C=C(CNC(=O)C2=CC=C(NS(=O)(=O)C3=CC=C(F)C=C3)C=C2)N=N1
InChI: InChI=1S/C30H31FN6O6S2/c1-4-20(2)16-30(3)26(15-28(39)44-30)43-19-27(38)32-13-14-37-18-24(34-36-37)17-33-29(40)21-5-9-23(10-6-21)35-45(41,42)25-11-7-22(31)8-12-25/h4-12,15-16,18,35H,1,13-14,17,19H2,2-3H3,(H,32,38)(H,33,40)/b20-16+/t30-/m1/s1
InChIKey: BEEGZEVWVQIHNU-TXBZQZDDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 654.7460000000002
TPSA？: 164.86999999999995
MolLogP？: 4.169400000000003
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Francisella tularensis | Francisella tularensis | MIC90 | 256.0 | 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 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jmedchem.6b00236 |
| None | Unchecked | Ki | nan | None | 10.1021/acs.jmedchem.6b00236 |