Compound Summary
BU99006
Compound Information
BU99006
Compound Name: | BU99006 |
Compound CID: | 6603748 |
Synonyms: | BU99006 CHEMBL157351 NCGC00015168-01 Lopac-B-8433 Lopac0_000587 More... |
Iupac Name: | [2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl] thiocyanate |
InChI: | InChI=1S/C12H9N3OS/c13-7-17-9-1-2-10-8(5-9)6-11(16-10)12-14-3-4-15-12/h1-2,5-6H,3-4H2,(H,14,15) |
InChIKey: | BMGBHVTUOPUVRW-UHFFFAOYSA-N |
Canonical Smiles: | C1CN=C(N1)C2=CC3=C(O2)C=CC(=C3)SC#N |
Isomeric Smiles: | C1CN=C(N1)C2=CC3=C(O2)C=CC(=C3)SC#N |
Molecular Weight: | 243.29 |
Molecular Formula: | C12H9N3OS |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
BU99006
Molecular Weight: | 243.29 |
Molecular Formula: | C12H9N3OS |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 17 |
Complexity: | 375 |
Synonyms
BU99006
| BU99006 | BU99006 |
|---|---|
BU99006 |
CHEMBL157351 |
NCGC00015168-01 |
Lopac-B-8433 |
Lopac0_000587 |
MLS002153225 |
SCHEMBL2493530 |
cid_6603748 |
HMS2230K13 |
HMS3261F16 |
Tox21_500587 |
BDBM50086503 |
CCG-204676 |
LP00587 |
SDCCGSBI-0050569.P002 |
NCGC00015168-02 |
NCGC00015168-03 |
NCGC00015168-04 |
NCGC00093966-01 |
NCGC00093966-02 |
NCGC00261272-01 |
SMR001230696 |
EU-0100587 |
B 8433 |
SR-01000075921 |
SR-01000075921-1 |
2-(5-Thiocyanato-benzofuran-2-yl)-4,5-dihydro-1H-imidazole |
Experimental Data
BU99006
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 9.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
BU99006
Statistics Data
BU99006
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 9.000000000000000 | 1 | 1 |
Statistics Data Visualization
BU99006
