HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound J8F

Identifiers

  • Canonical SMILES: 
    CN(CCO)c1ccc(cc1)\C=C(C#N)\c2ccc(cc2)C#N
  • InChi: 
    InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+
  • InChiKey: 
    DIAVZHWDYXQAFC-LDADJPATSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

154828692

RNA-SM complexes

PDB code Deposition date Reference publication
7eog April 22, 2021 Huang Kaiyi, Chen Xianjun, Li Chunyan, Song Qianqian, Li Huiwen, Zhu Linyong, Yang Yi, Ren Aiming. . Structure-based investigation of fluorogenic Pepper aptamer Nature Chemical Biology
7eoh April 22, 2021 Huang Kaiyi, Chen Xianjun, Li Chunyan, Song Qianqian, Li Huiwen, Zhu Linyong, Yang Yi, Ren Aiming. . Structure-based investigation of fluorogenic Pepper aptamer Nature Chemical Biology
7eoi April 22, 2021 Huang Kaiyi, Chen Xianjun, Li Chunyan, Song Qianqian, Li Huiwen, Zhu Linyong, Yang Yi, Ren Aiming. . Structure-based investigation of fluorogenic Pepper aptamer Nature Chemical Biology
7eoj April 22, 2021 Huang Kaiyi, Chen Xianjun, Li Chunyan, Song Qianqian, Li Huiwen, Zhu Linyong, Yang Yi, Ren Aiming. . Structure-based investigation of fluorogenic Pepper aptamer Nature Chemical Biology
7szu Nov. 29, 2021 Rees Huw C., Gogacz Wojciech, Li Nan-Sheng, Koirala Deepak, Piccirilli Joseph A.. . Structural Basis for Fluorescence Activation by Pepper RNA ACS Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 303.14 g/mol
HBA 4
HBD 1
HBA + HBD
AlogP 3.05
TPSA 71.05
RB 5

Radar chart