| CAS Number | 2003234-63-5 |
| Catalog Number | AG01EOEF(AGN-PC-0WOH7T) |
| Chemical Name | (R)-GNE-140 |
| IUPAC Name | (2R)-5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-(4-morpholin-4-ylphenyl)-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
| InChI | InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1 |
| InChI Key | SUFXXEIVBZJOAP-RUZDIDTESA-N |
| MDL Number | MFCD31560470 |
| Molecular Formula | C25H23ClN2O3S2 |
| Molecular Weight | 499.0447 |
| SMILES | O=C1C(SC5=CC=CC=C5Cl)=C(O)C[C@]([C@]2=CSC=C2)(C3=CC=C(N4CCOCC4)C=C3)N1 |
| Synonyms | GNE-140,
(R)-GNE-140,
GNE-140,
2003234-63-5,
(R)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(4-morpholinophenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one,
inhibitor GNE-140,
CHEMBL4065858,
SCHEMBL19972989,
BDBM197160,
EX-A1474,
CS-7646,
HY-100742A,
GNE-140 (6),
AK00798569,
J3.623.769D,
(2~{r})-5-(2-Chlorophenyl)sulfanyl-2-(4-Morpholin-4-Ylphenyl)-4-Oxidanyl-2-Thiophen-3-Yl-1,3-Dihydropyridin-6-One,
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| Complexity | 739 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 498.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 499.04g/mol |
| Monoisotopic Mass | 498.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
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