Compound 2ZZ
Identifiers
- Canonical SMILES:
CN1C(=NC(=C/c2cccc(Br)c2)\C1=O)C
- IUPAC name:
(5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one
- InChi:
InChI=1S/C12H11BrN2O/c1-8-14-11(12(16)15(8)2)7-9-4-3-5-10(13)6-9/h3-7H,1-2H3/b11-7-
- InChiKey:
GMGJCAXSTZCSRA-XFFZJAGNSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
137348109
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 4q9q | May 1, 2014 | Huang Hao, Suslov Nikolai B, Li Nan-Sheng, Shelke Sandip A, Evans Molly E, Koldobskaya Yelena, Rice Phoebe A, Piccirilli Joseph A. . A G-quadruplex–containing RNA activates fluorescence in a GFP-like fluorophore Nature Chemical Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 278.01 g/mol | |||
| HBA | 2 | |||
| HBD | 0 | |||
| HBA + HBD | ||||
| AlogP | 2.68 | |||
| TPSA | 32.67 | |||
| RB | 1 |