Compound FH8
Identifiers
- Canonical SMILES:
CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O)=O)C(O)=O)=[N+](C)C)c1
- InChi:
InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)17-8-5-14(24(28)29)11-20(17)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1
- InChiKey:
YMZMTOFQCVHHFB-UHFFFAOYSA-O
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
2762603
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 6gzk | July 4, 2018 | Duchardt-Ferner Elke, Juen Michael, Bourgeois Benjamin, Madl Tobias, Kreutz Christoph, Ohlenschläger Oliver, Wöhnert Jens. . Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine Nucleic Acids Research |
| 6gzr | July 5, 2018 | Duchardt-Ferner Elke, Juen Michael, Bourgeois Benjamin, Madl Tobias, Kreutz Christoph, Ohlenschläger Oliver, Wöhnert Jens. . Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine Nucleic Acids Research |
| 9bun | May 17, 2024 | |
| 9bun | May 17, 2024 | |
| 9bun | May 17, 2024 | |
| 9bun | May 17, 2024 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 431.16 g/mol | |||
| HBA | 4 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | 3.70 | |||
| TPSA | 93.99 | |||
| RB | 4 |