HARIBOSS

Harnessing RIBOnucleic acid – Small molecules Structures


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

Radar chart