| CAS Number | 1346607-05-3 |
| Catalog Number | AG01ENTP |
| Chemical Name | GSK621 |
| IUPAC Name | 6-chloro-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-(3-methoxyphenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione |
| InChI | InChI=1S/C26H20ClN3O5/c1-34-18-6-3-5-17(13-18)30-25(32)23-20(28-26(30)33)14-22(27)29(23)16-11-9-15(10-12-16)19-7-4-8-21(35-2)24(19)31/h3-14,31H,1-2H3,(H,28,33) |
| InChI Key | KURYSXLJGKKDHT-UHFFFAOYSA-N |
| MDL Number | MFCD28502280 |
| Molecular Formula | C26H20ClN3O5 |
| Molecular Weight | 489.9071 |
| SMILES | ClC1=CC=2NC(N(C(C2N1C1=CC=C(C=C1)C1=C(C(=CC=C1)OC)O)=O)C1=CC(=CC=C1)OC)=O |
| Synonyms | GSK621,
GSK621,
1346607-05-3,
SCHEMBL14718108,
GSK-621,
s7898,
AKOS032945158,
ZINC199631299,
SB17459,
GSK621, >=98% (HPLC),
KURYSXLJGKKDHT-UHFFFAOYSA-N,
A15896,
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| Complexity | 778 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.912g/mol |
| Monoisotopic Mass | 489.109g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number