HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound W0F

Identifiers

  • Canonical SMILES: 
    CO[C@@H]1[C@H](O)[C@@H](O[C@H]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23
  • InChi: 
    InChI=1S/C11H18N5O14P3/c1-26-7-4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(6(7)17)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10+/m0/s1
  • InChiKey: 
    OHOBECDATGAGJW-SXVXDFOESA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

RNA-SM complexes

PDB code Deposition date Reference publication
8wak Sept. 7, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wal Sept. 7, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wan Sept. 7, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wao Sept. 7, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wap Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8waq Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8war Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8was Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wat Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wau Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wav Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8waw Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wax Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8way Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8waz Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science
8wb0 Sept. 8, 2023 Chen Xizi, Liu Weida, Wang Qianmin, Wang Xinxin, Ren Yulei, Qu Xuechun, Li Wanjun, Xu Yanhui. . Structural visualization of transcription initiation in action Science

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 537.01 g/mol
HBA 13
HBD 7
HBA + HBD
AlogP -1.68
TPSA 288.10
RB 9

Radar chart