Compound A1LYL
Identifiers
- Canonical SMILES:
CN(C)CCOc1ccc2c([nH]c3c(C)nccc23)c1
- InChi:
InChI=1S/C16H19N3O/c1-11-16-14(6-7-17-11)13-5-4-12(10-15(13)18-16)20-9-8-19(2)3/h4-7,10,18H,8-9H2,1-3H3
- InChiKey:
RMAYMVOWWDYRGB-UHFFFAOYSA-N
- SMARTS:
[#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:[#6]3:[#6](-[#6]):[#7]:[#6]:[#6]:[#6]:2:3):[#6]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
53324249
CHEMBL1645555
A1LYL
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 269.15 g/mol | |||
| HBA | 3 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 2.97 | |||
| TPSA | 41.15 | |||
| RB | 4 |