Compound 6YG
Identifiers
- Canonical SMILES:
COc1ncc(CN2CCC[C@@H](C2)c3nc(O)cc(n3)c4sccc4)cn1
- IUPAC name:
(6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol - InChi:
InChI=1S/C19H21N5O2S/c1-26-19-20-9-13(10-21-19)11-24-6-2-4-14(12-24)18-22-15(8-17(25)23-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,22,23,25)/t14-/m0/s1
- InChiKey:
NVEPPHORIAFPBH-AWEZNQCLSA-N
- SMARTS:
[#6]-[#8]-[#6]1:[#7]:[#6]:[#6](-[#6]-[#7]2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-2)-[#6]2:[#7]:[#6](-[#8]):[#6]:[#6](:[#7]:2)-[#6]2:[#16]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
135567207
6YG
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 383.14 g/mol | |||
| HBA | 8 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 3.09 | |||
| TPSA | 84.26 | |||
| RB | 5 |