Compound A1CYH
Identifiers
- Canonical SMILES:
NC(=N)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C2=CNC(=O)NC2=O
- IUPAC name:
(1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol
- InChi:
InChI=1S/C17H26N8O8/c18-9(26)2-1-7(24-10(27)5-22-16(19)20)15(31)21-4-8-11(28)12(29)13(33-8)6-3-23-17(32)25-14(6)30/h3,7-8,11-13,28-29H,1-2,4-5H2,(H2,18,26)(H,21,31)(H,24,27)(H4,19,20,22)(H2,23,25,30,32)/t7-,8+,11+,12+,13-/m0/s1
- InChiKey:
XXNQCAOEESDBST-YFKLLHAASA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
90059752
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9ynq | Oct. 11, 2025 | Anwar Avraz F., You Linlin, Degen David, Burns Katie J., Garza Michael J., Ebright Richard H., Del Valle Juan R.. . Solid-Phase Synthesis and Biological Evaluation of Des-hydroxy Pseudouridimycin Analogs ACS Medicinal Chemistry Letters |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 470.19 g/mol | |||
| HBA | 9 | |||
| HBD | 10 | |||
| HBA + HBD | ||||
| AlogP | -5.43 | |||
| TPSA | 278.60 | |||
| RB | 10 |