Compound HUV
Identifiers
- Canonical SMILES:
COC(=O)c1ccc2n(ccc2c1)[C@@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
- IUPAC name:
methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate - InChi:
InChI=1S/C15H20NO14P3/c1-26-15(18)10-2-3-11-9(6-10)4-5-16(11)14-7-12(17)13(28-14)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-6,12-14,17H,7-8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t12-,13+,14-/m0/s1
- InChiKey:
QKUDYNPYMMJGEH-MJBXVCDLSA-N
- SMARTS:
[#6]-[#8]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]2:[#7](:[#6]:[#6]:[#6]:2:[#6]:1)-[#6@@H]1-[#6]-[#6@H](-[#8])-[#6@@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#8]-1
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
137552726
HUV
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 531.01 g/mol | |||
| HBA | 10 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | 1.42 | |||
| TPSA | 220.51 | |||
| RB | 9 |