Compound Summary
BW 284c51
Compound Information
BW 284c51
Compound Name: | BW 284c51 |
Compound CID: | 11957453 |
Synonyms: | BW 284c51 EU-0100113 CHEMBL1528532 HMS3260G08 Tox21_500113 More... |
Iupac Name: | [5-[dimethyl-(4-prop-2-enylphenyl)azaniumyl]-3-oxopentyl]-dimethyl-(4-prop-2-enylphenyl)azanium;dibromide |
InChI: | InChI=1S/C27H38N2O.2BrH/c1-7-9-23-11-15-25(16-12-23)28(3,4)21-19-27(30)20-22-29(5,6)26-17-13-24(10-8-2)14-18-26;;/h7-8,11-18H,1-2,9-10,19-22H2,3-6H3;2*1H/q+2;;/p-2 |
InChIKey: | GIMGLDRADQXPFN-UHFFFAOYSA-L |
Canonical Smiles: | C[N+](C)(CCC(=O)CC[N+](C)(C)C1=CC=C(C=C1)CC=C)C2=CC=C(C=C2)CC=C.[Br-].[Br-] |
Isomeric Smiles: | C[N+](C)(CCC(=O)CC[N+](C)(C)C1=CC=C(C=C1)CC=C)C2=CC=C(C=C2)CC=C.[Br-].[Br-] |
Molecular Weight: | 566.4 |
Molecular Formula: | C27H38Br2N2O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
BW 284c51
Molecular Weight: | 566.4 |
Molecular Formula: | C27H38Br2N2O |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 12 |
Heavy Atom Count: | 32 |
Complexity: | 501 |
Synonyms
BW 284c51
| BW 284c51 | BW 284c51 |
|---|---|
BW 284c51 |
EU-0100113 |
CHEMBL1528532 |
HMS3260G08 |
Tox21_500113 |
CCG-221417 |
LP00113 |
NCGC00093610-01 |
NCGC00260798-01 |
A 9013 |
SR-01000075693 |
SR-01000075693-1 |
Experimental Data
BW 284c51
| 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 | -19.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
BW 284c51
Statistics Data
BW 284c51
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -19.000000000000000 | 1 | 1 |
Statistics Data Visualization
BW 284c51
