Compound A1BNL
Identifiers
- Canonical SMILES:
Cn1nc(cc1NC(=O)c2ccccc2)c3ccc(NC(=O)c4ccccc4Cl)cc3
- IUPAC name:
N-[4-(5-benzamido-1-methyl-1H-pyrazol-3-yl)phenyl]-2-chlorobenzamide
- InChi:
InChI=1S/C24H19ClN4O2/c1-29-22(27-23(30)17-7-3-2-4-8-17)15-21(28-29)16-11-13-18(14-12-16)26-24(31)19-9-5-6-10-20(19)25/h2-15H,1H3,(H,26,31)(H,27,30)
- InChiKey:
JRXJDHZUEUXAEG-UHFFFAOYSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
170346144
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9mnc | Dec. 20, 2024 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 430.12 g/mol | |||
| HBA | 3 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | 5.25 | |||
| TPSA | 76.02 | |||
| RB | 5 |