XOH
Summary
| Name: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide |
| Formula: | C26 H28 F2 N8 O5 |
| Formal charge: | 0 |
| Formula weight: | 570.548 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H28F2N8O5/c1-15-20(35-41-34-15)14-32-25(37)17-13-31-24-22(17)21(3-5-29-24)40-23-18(27)11-16(12-19(23)28)33-26(38)30-4-2-6-36-7-9-39-10-8-36/h3,5,11-13H,2,4,6-10,14H2,1H3,(H,29,31)(H,32,37)(H2,30,33,38) |
| InChIKey | InChI | 1.06 | SENYRIRBXVWYED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nonc1CNC(=O)c2c[nH]c3nccc(Oc4c(F)cc(NC(=O)NCCCN5CCOCC5)cc4F)c23 |
| SMILES | CACTVS | 3.385 | Cc1nonc1CNC(=O)c2c[nH]c3nccc(Oc4c(F)cc(NC(=O)NCCCN5CCOCC5)cc4F)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(non1)CNC(=O)c2c[nH]c3c2c(ccn3)Oc4c(cc(cc4F)NC(=O)NCCCN5CCOCC5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(non1)CNC(=O)c2c[nH]c3c2c(ccn3)Oc4c(cc(cc4F)NC(=O)NCCCN5CCOCC5)F |
