Compound T0A
Identifiers
- Canonical SMILES:
NC1=NC2=C(CCCN2)C(=O)N1
- InChi:
InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12)
- InChiKey:
PRQFDDYAWVNJMM-UHFFFAOYSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
135460259
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 6q57 | Dec. 7, 2018 | |
| 6q57 | Dec. 7, 2018 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 166.09 g/mol | |||
| HBA | 4 | |||
| HBD | 3 | |||
| HBA + HBD | ||||
| AlogP | -0.29 | |||
| TPSA | 83.80 | |||
| RB | 0 |