Compound A1BWO
Identifiers
- Canonical SMILES:
COC(=O)NC[C@H]1CN(C(=O)O1)c2cc(F)c(N3CC[S](=O)(=O)CC3)c(F)c2
- IUPAC name:
methyl ({(5S)-3-[4-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)carbamate - InChi:
InChI=1S/C16H19F2N3O6S/c1-26-15(22)19-8-11-9-21(16(23)27-11)10-6-12(17)14(13(18)7-10)20-2-4-28(24,25)5-3-20/h6-7,11H,2-5,8-9H2,1H3,(H,19,22)/t11-/m0/s1
- InChiKey:
CCYKSCLMFZLAJH-NSHDSACASA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
156857753
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9n5t | Feb. 4, 2025 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 419.10 g/mol | |||
| HBA | 7 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 0.88 | |||
| TPSA | 105.25 | |||
| RB | 4 |