Compound A1EST
Identifiers
- Canonical SMILES:
CC1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1Cc3cccc4nc[nH]c34
- InChi:
InChI=1S/C19H14F2N4O2/c1-10-24-16(7-11-5-13(20)18(26)14(21)6-11)19(27)25(10)8-12-3-2-4-15-17(12)23-9-22-15/h2-7,9,26H,8H2,1H3,(H,22,23)/b16-7-
- InChiKey:
UDYSIBWBQGPNCS-APSNUPSMSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
163342429
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9vmz | June 29, 2025 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 368.11 g/mol | |||
| HBA | 4 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | 3.35 | |||
| TPSA | 81.58 | |||
| RB | 3 |