A1JSR
Summary
| Name: | Glesatinib |
| Synonyms: | ~{N}-[[3-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)ethanamide |
| Formula: | C31 H27 F2 N5 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 619.705 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[3-fluoranyl-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxy-phenyl]carbamothioyl]-2-(4-fluorophenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42) |
| InChIKey | InChI | 1.06 | YRCHYHRCBXNYNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCNCc1ccc(nc1)c2sc3c(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3c2 |
| SMILES | CACTVS | 3.385 | COCCNCc1ccc(nc1)c2sc3c(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCNCc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccc(cc5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCNCc1ccc(nc1)c2cc3c(s2)c(ccn3)Oc4ccc(cc4F)NC(=S)NC(=O)Cc5ccc(cc5)F |
