Compound URC
Identifiers
- Canonical SMILES:
O=C1NC(=O)C2=C(N1)NC(=O)N2
- IUPAC name:
7,9-dihydro-1H-purine-2,6,8(3H)-trione
- InChi:
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
- InChiKey:
LEHOTFFKMJEONL-UHFFFAOYSA-N
- SMARTS:
[#8]=[#6]1:[#7]:[#6](=[#8]):[#6]2:[#6](:[#7]:1):[#7]:[#6](=[#8]):[#7]:2
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
5274273
CHEMBL792
URC
DB08844
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 168.03 g/mol | |||
| HBA | 3 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -1.77 | |||
| TPSA | 114.37 | |||
| RB | 0 |