Compound VDU
Identifiers
- Canonical SMILES:
CC1(C)C[C@H](F)C[C@]2(C)[C@@H](C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)[C@@H](O)C[C@@H]12
- InChi:
InChI=1S/C20H30FNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
- InChiKey:
GYMIYUOGANGZND-LWHFJPTFSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
175679040
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 8p85 | Aug. 31, 2023 | |
| 8p85 | Aug. 31, 2023 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 367.22 g/mol | |||
| HBA | 4 | |||
| HBD | 3 | |||
| HBA + HBD | ||||
| AlogP | 2.12 | |||
| TPSA | 86.63 | |||
| RB | 3 |