Compound UYS
Identifiers
- Canonical SMILES:
CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C(=O)N=C(N)N
- IUPAC name:
3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
- InChi:
InChI=1S/C16H17N7O/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24)
- InChiKey:
RQKKLGFFJIDEHC-UHFFFAOYSA-N
- SMARTS:
[#6]-[#7](-[#6])-[#6]1:[#7]:[#6](-[#7]):[#6](:[#7]:[#6]:1-[#6]#[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]=[#6](-[#7])-[#7]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
154573939
UYS
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 323.15 g/mol | |||
| HBA | 5 | |||
| HBD | 3 | |||
| HBA + HBD | ||||
| AlogP | -0.06 | |||
| TPSA | 136.51 | |||
| RB | 2 |