Compound I7U
Identifiers
- Canonical SMILES:
CN1C(=O)NC(=O)c2[nH]cnc12
- InChi:
InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
- InChiKey:
GMSNIKWWOQHZGF-UHFFFAOYSA-N
- SMARTS:
[#6]-[#7]1:[#6](=[#8]):[#7]:[#6](=[#8]):[#6]2:[#7]:[#6]:[#7]:[#6]:1:2
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
70639
CHEMBL619
I7U
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 166.05 g/mol | |||
| HBA | 3 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | -1.05 | |||
| TPSA | 83.54 | |||
| RB | 0 |