Compound A1AZL
Identifiers
- Canonical SMILES:
NCCN1CCN=C1c2ccc(cc2)C(=O)Nc3ccc(cc3)C4=NCCN4
- IUPAC name:
4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
- InChi:
InChI=1S/C21H24N6O/c22-9-13-27-14-12-25-20(27)16-1-3-17(4-2-16)21(28)26-18-7-5-15(6-8-18)19-23-10-11-24-19/h1-8H,9-14,22H2,(H,23,24)(H,26,28)
- InChiKey:
MIXOGBPRHWAMGZ-UHFFFAOYSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
178303313
CHEMBL6150418
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9cpi | July 18, 2024 | Chen Jonathan L., Taghavi Amirhossein, Frank Alexander J., Fountain Matthew A., Choudhary Shruti, Roy Soma, Childs-Disney Jessica L., Disney Matthew D.. . NMR structures of small molecules bound to a model of a CUG RNA repeat expansion Bioorganic & Medicinal Chemistry Letters |
| 9dlm | Sept. 11, 2024 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 376.20 g/mol | |||
| HBA | 6 | |||
| HBD | 3 | |||
| HBA + HBD | ||||
| AlogP | 1.31 | |||
| TPSA | 95.11 | |||
| RB | 6 |