DRB   

GtoPdb Ligand ID: 5178

Synonyms: 5,6-dichloro-1-β-D-ribofuranosylbenzimidazole
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 87.74
Molecular weight 318.02
XLogP 1.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1cc(Cl)c(c2)Cl
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1cc(Cl)c(c2)Cl
InChI InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1
InChI Key XHSQDZXAVJRBMX-DDHJBXDOSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S,5R)-2-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms
5,6-dichloro-1-β-D-ribofuranosylbenzimidazole
Database Links
CAS Registry No. 53-85-0
ChEMBL Ligand CHEMBL375530
GtoPdb PubChem SID 178101868
PubChem CID 5894
RCSB PDB Ligand RFZ
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Wikipedia 5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole