Compound 6GS
Identifiers
- Canonical SMILES:
C[C@@]1(F)[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
- IUPAC name:
2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
- InChi:
InChI=1S/C10H15FN2O11P2/c1-10(11)7(15)5(4-22-26(20,21)24-25(17,18)19)23-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
- InChiKey:
VPPLCOBQDZAMRD-VPCXQMTMSA-N
- SMARTS:
[#6]-[#6@@]1(-[#9])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#8]-[#6@H]-1-[#7]1:[#6]:[#6]:[#6](=[#8]):[#7]:[#6]:1=[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
23725127
CHEMBL556224
6GS
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 420.01 g/mol | |||
| HBA | 8 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -1.25 | |||
| TPSA | 197.61 | |||
| RB | 6 |