GN0
Summary
| Name: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
| Synonyms: | inhibitor GNE-140 |
| Formula: | C25 H23 Cl N2 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 499.045 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 |
| InChIKey | InChI | 1.03 | SUFXXEIVBZJOAP-RUZDIDTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5 |
| SMILES | CACTVS | 3.385 | OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)SC2=C(CC(NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl |
