Compound PHE
Identifiers
- Canonical SMILES:
N[C@@H](Cc1ccccc1)C(O)=O
- IUPAC name:
L-phenylalanine
- InChi:
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
- InChiKey:
COLNVLDHVKWLRT-QMMMGPOBSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
6925665
CHEMBL301523
DB00120
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 5o61 | June 3, 2017 | Hentschel Jendrik, Burnside Chloe, Mignot Ingrid, Leibundgut Marc, Boehringer Daniel, Ban Nenad. . The Complete Structure of the Mycobacterium smegmatis 70S Ribosome Cell Reports |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 165.08 g/mol | |||
| HBA | 2 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | 0.64 | |||
| TPSA | 63.32 | |||
| RB | 3 |