None
AlkaPlorer ID: AK323693
Synonym: None
IUPAC Name: 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-[4-[(5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-2-oxothiophen-3-yl]butyl]triazol-4-yl]methyl]benzamide
Structure
SMILES: C=C/C(C)=C/[C@@]1(C)SC(=O)C(CCCCN2C=C(CNC(=O)C3=CC=C(NS(=O)(=O)C4=CC=C(F)C=C4)C=C3)N=N2)=C1O
InChI: InChI=1S/C30H32FN5O5S2/c1-4-20(2)17-30(3)27(37)26(29(39)42-30)7-5-6-16-36-19-24(33-35-36)18-32-28(38)21-8-12-23(13-9-21)34-43(40,41)25-14-10-22(31)11-15-25/h4,8-15,17,19,34,37H,1,5-7,16,18H2,2-3H3,(H,32,38)/b20-17+/t30-/m1/s1
InChIKey: FUYRNIKRQJPPTD-DKZDZWEYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 625.7480000000002
TPSA？: 143.28
MolLogP？: 5.294800000000003
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Francisella tularensis | Francisella tularensis | MIC90 | 250.0 | 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 |
| 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 |