Compound 4PQ
Identifiers
- Canonical SMILES:
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
- IUPAC name:
5-hydroxy-L-tryptophan
- InChi:
InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
- InChiKey:
LDCYZAJDBXYCGN-VIFPVBQESA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
439280
CHEMBL350221
DB02959
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 5kpy | July 5, 2016 | Porter Ely B, Polaski Jacob T, Morck Makenna M, Batey Robert T. . Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors Nature Chemical Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 220.09 g/mol | |||
| HBA | 3 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | 0.83 | |||
| TPSA | 99.34 | |||
| RB | 3 |