Compound JJH
Identifiers
- Canonical SMILES:
OC[C@H]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2
- InChi:
InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1
- InChiKey:
XWFCFMXQTBGXQW-GOSISDBHSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
44242317
CHEMBL3707376
DB11847
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 6qul | Feb. 27, 2019 | Scaiola Alain, Leibundgut Marc, Boehringer Daniel, Caspers Patrick, Bur Daniel, Locher Hans H., Rueedi Georg, Ritz Daniel. . Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic Scientific Reports |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 585.19 g/mol | |||
| HBA | 9 | |||
| HBD | 3 | |||
| HBA + HBD | ||||
| AlogP | 3.04 | |||
| TPSA | 141.77 | |||
| RB | 8 |