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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
  • SMARTS: 
    [#6]-[#8]-[#6@@H]1-[#6@H](-[#8])-[#6@@H](-[#8]-[#6@H]-1-[#6]-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#7]1:[#6]:[#7]:[#6]2:[#6](=[#8]):[#7]:[#6](-[#7]):[#7]:[#6]:1:2

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PDB Logo W0F

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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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. 2023. 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