Compound L8H
Identifiers
- Canonical SMILES:
COc1cc(N)cc2ccccc12
- IUPAC name:
4-methoxynaphthalen-2-amine
- InChi:
InChI=1S/C11H11NO/c1-13-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,12H2,1H3
- InChiKey:
SFKZPTYRENGBTJ-UHFFFAOYSA-N
- SMARTS:
[#6]-[#8]-[#6]1:[#6]:[#6](-[#7]):[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
151041
L8H
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 2l8h | Jan. 12, 2011 | Davidson Amy, Begley Darren W., Lau Carmen, Varani Gabriele. 2011. A Small-Molecule Probe Induces a Conformation in HIV TAR RNA Capable of Binding Drug-Like Fragments Journal of Molecular Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 173.08 g/mol | |||
| HBA | 2 | |||
| HBD | 1 | |||
| HBA + HBD | ||||
| AlogP | 2.43 | |||
| TPSA | 35.25 | |||
| RB | 1 |