Compound Summary
Compound Information
UNII-K1WT1A1UP5
Compound Name: | UNII-K1WT1A1UP5 |
Compound CID: | 135914977 |
Synonyms: | UNII-K1WT1A1UP5 K1WT1A1UP5 NT219 NT-219 CHEMBL3679680 More... |
Iupac Name: | (E)-3-(2-bromo-3,4-dihydroxyphenyl)-N-[(3,4,5-trihydroxyphenyl)methyl]prop-2-enethioamide |
InChI: | InChI=1S/C16H14BrNO5S/c17-14-9(1-3-10(19)16(14)23)2-4-13(24)18-7-8-5-11(20)15(22)12(21)6-8/h1-6,19-23H,7H2,(H,18,24)/b4-2+ |
InChIKey: | XDDQKKXXQHUUHJ-DUXPYHPUSA-N |
Canonical Smiles: | C1=CC(=C(C(=C1C=CC(=S)NCC2=CC(=C(C(=C2)O)O)O)Br)O)O |
Isomeric Smiles: | C1=CC(=C(C(=C1/C=C/C(=S)NCC2=CC(=C(C(=C2)O)O)O)Br)O)O |
Molecular Weight: | 412.3 |
Molecular Formula: | C16H14BrNO5S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
UNII-K1WT1A1UP5
Molecular Weight: | 412.3 |
Molecular Formula: | C16H14BrNO5S |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 24 |
Complexity: | 454 |
Synonyms
UNII-K1WT1A1UP5
| UNII-K1WT1A1UP5 | UNII-K1WT1A1UP5 |
|---|---|
UNII-K1WT1A1UP5 |
K1WT1A1UP5 |
NT219 |
NT-219 |
CHEMBL3679680 |
SCHEMBL12659248 |
BDBM101913 |
US8536227, 5 |
2-Propenethioamide, 3-(2-bromo-3,4-dihydroxyphenyl)-N-((3,4,5-trihydroxyphenyl)methyl)- |
1198078-60-2 |
2-Propenethioamide, 3-(2-bromo-3,4-dihydroxyphenyl)-N-((3,4,5-trihydroxyphenyl)methyl)-, (2E)- |
Experimental Data
UNII-K1WT1A1UP5
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 600 | umol/L | NS | N2 | 33683565 | Inactive |
Experimental Data Visualization
UNII-K1WT1A1UP5
Statistics Data
UNII-K1WT1A1UP5
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 1 |
Statistics Data Visualization
UNII-K1WT1A1UP5
