Compound CIR
Identifiers
- Canonical SMILES:
N[C@@H](CCCNC(N)=O)C(O)=O
- IUPAC name:
N~5~-carbamoyl-L-ornithine
- InChi:
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
- InChiKey:
RHGKLRLOHDJJDR-BYPYZUCNSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
9750
CHEMBL444814
DB00155
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 1kod | March 28, 1996 | Yang Yinshan, Kochoyan Michel, Burgstaller Petra, Westhof Eric, Famulok Michael. . Structural Basis of Ligand Discrimination by Two Related RNA Aptamers Resolved by NMR Spectroscopy Science |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 175.10 g/mol | |||
| HBA | 3 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -1.15 | |||
| TPSA | 118.44 | |||
| RB | 5 |