Compound OJI
Identifiers
- Canonical SMILES:
Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
- InChi:
InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
- InChiKey:
JVOJULURLCZUDE-JXOAFFINSA-N
- SMARTS:
[#7]-[#6]1:[#7]:[#6]:[#6]2:[#7]:[#6]:[#7](-[#6@@H]3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-3-[#8]):[#6]:2:[#7]:1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
11065406
CHEMBL1651367
OJI
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 267.10 g/mol | |||
| HBA | 8 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -1.98 | |||
| TPSA | 139.54 | |||
| RB | 2 |