Compound GDZ

Identifiers

Canonical SMILES:

CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4

InChi:

InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3

InChiKey:
```
OCIABPGRNCLBEI-UHFFFAOYSA-N
```

SMARTS:

[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#7]2:[#6](=[#8]):[#6]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#7]2:[#6]:[#6](-[#6]):[#7]:[#6]:2:[#6](-[#9]):[#6]:1

Chemistry rules

Lipinski's RO5	Veber	Pfizer's 3/75

External links

89740936

GDZ

RNA-SM complexes

PDB code	Deposition date	Reference publication
6hmo	Sept. 12, 2018	Campagne Sébastien, Boigner Sarah, Rüdisser Simon, Moursy Ahmed, Gillioz Laurent, Knörlein Anna, Hall Jonathan, Ratni Hasane, Cléry Antoine, Allain Frédéric H.-T.. 2019. Structural basis of a small molecule targeting RNA for a specific splicing correction Nature Chemical Biology

Physicochemical filters

Descriptor	Lipinski's RO5	Veber	Pfizer's 3/75
MW	≤ 500 g/mol	-	-
AlogP	≤ 5	-	≤ 3
HBA	≤ 10	-	-
HBD	≤ 5	-	-
(HBA + HBD)	-	≤ 12	-
TPSA	-	≤ 140 Å²	≥ 75 Å²
RB	-	≤ 10	-

	Descriptor	Lipinski's RO5	Veber	Pfizer's 3/75
Compliance
MW	392.18 g/mol
HBA	5
HBD	0
HBA + HBD
AlogP	2.21
TPSA	58.15
RB	2

HARIBOSS

Compound GDZ

Identifiers

Chemistry rules

External links

RNA-SM complexes

Physicochemical filters

Radar chart