| CAS Number | 893449-38-2 |
| Catalog Number | AG0086O7(AGN-PC-0VOW4W) |
| Chemical Name | PRL-3 Inhibitor |
| IUPAC Name | (5Z)-5-[[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C17H11Br2NO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)/b15-8- |
| InChI Key | HXNBAOLVPAWYLT-NVNXTCNLSA-N |
| MDL Number | MFCD11045303 |
| Molecular Formula | C17H11Br2NO2S2 |
| Molecular Weight | 485.2127 |
| SMILES | BrC=1C=CC(=C(C=C2C(NC(S2)=S)=O)C1)OCC1=C(C=CC=C1)Br |
| Synonyms | 1-(2-bromobenzyloxy)-4-bromo-2-benzylidene rhodanine,
PRL-3 Inhibitor,
CHEMBL207958,
1-(2-Bromobenzyloxy)-4-bromo-2-benzylidene rhodanine,
893449-38-2,
PRL-3 Inhibitor I,
Phosphatase of regenerating liver-3, Inhibitor I,
SCHEMBL10090207,
CHEBI:94993,
5-[[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone,
BDBM50184288,
RT-015132,
5-(2-(2-bromobenzyloxy)-5-bromobenzylidene)-2-thioxothiazolidin-4-one,
CID11983303,
CID 11983303,
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| Complexity | 529 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 484.858g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 485.208g/mol |
| Monoisotopic Mass | 482.86g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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