Compound M7M
Identifiers
- Canonical SMILES:
CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
- IUPAC name:
N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate)
- InChi:
InChI=1S/C13H23N5O11P2/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(28-12)4-27-31(25,26)29-30(22,23)24/h6,8-9,12,19-20H,4-5H2,1-3H3,(H,25,26)(H,14,15,21)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1
- InChiKey:
DHQQIEJARUGVNZ-WOUKDFQISA-N
- SMARTS:
[#6]-[#7](-[#6])-[#6]1:[#7]:[#6](=[#8]):[#6]2:[#6](:[#7]:1)-[#7](-[#6]-[#7]-2-[#6])-[#6@@H]1-[#8]-[#6@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
137349735
M7M
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 487.09 g/mol | |||
| HBA | 12 | |||
| HBD | 6 | |||
| HBA + HBD | ||||
| AlogP | -2.28 | |||
| TPSA | 218.45 | |||
| RB | 7 |