Compound ANG
Identifiers
- Canonical SMILES:
NC1=Nc2[nH]c(N)nc2C(=O)N1
- IUPAC name:
2,8-diamino-1,9-dihydro-6H-purin-6-one
- InChi:
InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)
- InChiKey:
WYDKPTZGVLTYPG-UHFFFAOYSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
135421887
CHEMBL8040
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 6uc8 | Sept. 15, 2019 | Matyjasik Michal M., Hall Simone D., Batey Robert T.. . High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch Molecules |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 166.06 g/mol | |||
| HBA | 5 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -1.19 | |||
| TPSA | 126.47 | |||
| RB | 0 |