WFT
Summary
| Name: | 3-azanyl-N-[(2S)-6-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide |
| Formula: | C25 H29 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 447.596 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-~{N}-[(2~{S})-6-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H29N5OS/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31)/t17-,18-,19+/m0/s1 |
| InChIKey | InChI | 1.06 | UZKKSCQGVUDMFY-GBESFXJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2c(N)c(sc2n1)C(=O)N[C@H]3CCc4cc(ccc4C3)N5C[C@@H]6CC[C@H](C5)N6 |
| SMILES | CACTVS | 3.385 | Cc1ccc2c(N)c(sc2n1)C(=O)N[CH]3CCc4cc(ccc4C3)N5C[CH]6CC[CH](C5)N6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c(sc2n1)C(=O)N[C@H]3CCc4cc(ccc4C3)N5C[C@H]6CC[C@@H](C5)N6)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c(sc2n1)C(=O)NC3CCc4cc(ccc4C3)N5CC6CCC(C5)N6)N |
