Compound J8O
Identifiers
- Canonical SMILES:
CN(CCO)c1cnc(cn1)\C=C(/C#N)c2ccc(cc2)C#N
- InChi:
InChI=1S/C17H15N5O/c1-22(6-7-23)17-12-20-16(11-21-17)8-15(10-19)14-4-2-13(9-18)3-5-14/h2-5,8,11-12,23H,6-7H2,1H3/b15-8+
- InChiKey:
KAAHKPAHANCLED-OVCLIPMQSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
156025054
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 7eol | April 22, 2021 | Huang Kaiyi, Chen Xianjun, Li Chunyan, Song Qianqian, Li Huiwen, Zhu Linyong, Yang Yi, Ren Aiming. . Structure-based investigation of fluorogenic Pepper aptamer Nature Chemical Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 305.13 g/mol | |||
| HBA | 6 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 1.84 | |||
| TPSA | 96.83 | |||
| RB | 5 |