Compound X0O
Identifiers
- Canonical SMILES:
CN1C=C([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=NC1=O)N
- InChi:
InChI=1S/C10H18N3O14P3/c1-13-2-4(9(11)12-10(13)16)8-7(15)6(14)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1
- InChiKey:
JCPRKVWIOJLDIF-XUTVFYLZSA-N
- SMARTS:
[#6]-[#7]1:[#6]:[#6](-[#6@@H]2-[#8]-[#6@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@@H](-[#8])-[#6@H]-2-[#8]):[#6](:[#7]:[#6]:1=[#8])-[#7]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
169489567
X0O
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 497.00 g/mol | |||
| HBA | 12 | |||
| HBD | 7 | |||
| HBA + HBD | ||||
| AlogP | -2.13 | |||
| TPSA | 270.42 | |||
| RB | 8 |