Compound UI9
Identifiers
- Canonical SMILES:
Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[C@H](CNC(=O)CCl)OC4=O
- IUPAC name:
2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide - InChi:
InChI=1S/C19H17ClFN7O3/c1-27-25-18(24-26-27)16-5-2-11(8-22-16)14-4-3-12(6-15(14)21)28-10-13(31-19(28)30)9-23-17(29)7-20/h2-6,8,13H,7,9-10H2,1H3,(H,23,29)/t13-/m0/s1
- InChiKey:
VVZVMIYJLRPJQL-ZDUSSCGKSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
168354947
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 8e44 | Aug. 17, 2022 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 445.11 g/mol | |||
| HBA | 8 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 1.76 | |||
| TPSA | 115.13 | |||
| RB | 6 |