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Harnessing RIBOnucleic acid - Small molecules Structures

Compound HN8

Identifiers

  • Canonical SMILES: 
    CO[C@H]1C[C@@H]2[N@@]3C[C@H](O)[C@@]2(C=C1)c4cc5OCOc5cc4C3
  • InChi: 
    InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1
  • InChiKey: 
    YGPRSGKVLATIHT-HSHDSVGOSA-N
  • SMARTS: 
    [#6]-[#8]-[#6@H]1-[#6]-[#6@@H]2-[#7@@]3-[#6]-[#6@H](-[#8])-[#6@@]-2(-[#6]=[#6]-1)-[#6]1:[#6]:[#6]2-[#8]-[#6]-[#8]-[#6]:2:[#6]:[#6]:1-[#6]-3

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PubChem Logo 441593 ChEMBL Logo CHEMBL401114 PDB Logo HN8

RNA-SM complexes

PDB code Deposition date Reference publication
5on6 Aug. 3, 2017 Pellegrino Simone, Meyer Mélanie, Zorbas Christiane, Bouchta Soumaya A., Saraf Kritika, Pelly Stephen C., Yusupova Gulnara, Evidente Antonio, Mathieu Véronique, Kornienko Alexander, Lafontaine Denis L.J., Yusupov Marat. 2018. The Amaryllidaceae Alkaloid Haemanthamine Binds the Eukaryotic Ribosome to Repress Cancer Cell Growth Structure
5on6 Aug. 3, 2017 Pellegrino Simone, Meyer Mélanie, Zorbas Christiane, Bouchta Soumaya A., Saraf Kritika, Pelly Stephen C., Yusupova Gulnara, Evidente Antonio, Mathieu Véronique, Kornienko Alexander, Lafontaine Denis L.J., Yusupov Marat. 2018. The Amaryllidaceae Alkaloid Haemanthamine Binds the Eukaryotic Ribosome to Repress Cancer Cell Growth Structure

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 301.13 g/mol
HBA 5
HBD 1
HBA + HBD
AlogP 1.19
TPSA 51.16
RB 1

Radar chart