Compound J8L
Identifiers
- Canonical SMILES:
CN(C)CCN(C)c1cnc(cn1)\C=C(/C#N)c2ccc(cc2)C#N
- InChi:
InChI=1S/C19H20N6/c1-24(2)8-9-25(3)19-14-22-18(13-23-19)10-17(12-21)16-6-4-15(11-20)5-7-16/h4-7,10,13-14H,8-9H2,1-3H3/b17-10+
- InChiKey:
LKDZROJVPDPWQB-LICLKQGHSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
156025053
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 7eok | 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 | 332.18 g/mol | |||
| HBA | 6 | |||
| HBD | 0 | |||
| HBA + HBD | ||||
| AlogP | 2.41 | |||
| TPSA | 79.84 | |||
| RB | 6 |