Compound GZG
Identifiers
- Canonical SMILES:
Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCN(CCCC(O)=O)Cc4ccccc4)c2cc1C
- IUPAC name:
4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid - InChi:
InChI=1S/C25H27N5O4/c1-16-13-19-20(14-17(16)2)30(23-22(26-19)24(33)28-25(34)27-23)12-11-29(10-6-9-21(31)32)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,31,32)(H,28,33,34)
- InChiKey:
UHJZDXGBGFJXSS-UHFFFAOYSA-N
- SMARTS:
[#6]-[#6]1:[#6]:[#6]2:[#7]:[#6]3:[#6](=[#8]):[#7]:[#6](=[#8]):[#7]:[#6]-3:[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6](-[#8])=[#8])-[#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#6]:2:[#6]:[#6]:1-[#6]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
71538339
GZG
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 461.21 g/mol | |||
| HBA | 6 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | 2.57 | |||
| TPSA | 121.18 | |||
| RB | 9 |