Compound A1EI4
Identifiers
- Canonical SMILES:
CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C(O)=O)=[N+](C)C)c1
- InChi:
InChI=1S/C24H22N2O3/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28/h5-14H,1-4H3/p+1
- InChiKey:
ABZLKHKQJHEPAX-UHFFFAOYSA-O
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
65220
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9l8f | Dec. 27, 2024 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 387.17 g/mol | |||
| HBA | 3 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 4.00 | |||
| TPSA | 56.69 | |||
| RB | 3 |