Compound SY5
Identifiers
- Canonical SMILES:
CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCN
- InChi:
InChI=1S/C12H27N5O4/c1-17(8-12(20)21)16-11(19)6-9(14)5-10(18)7-15-4-2-3-13/h9-10,15,18H,2-8,13-14H2,1H3,(H,16,19)(H,20,21)/t9-,10-/m1/s1
- InChiKey:
VBFFWDLIKBQABV-NXEZZACHSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
122191421
CHEMBL3621799
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 7b5k | Dec. 3, 2020 | |
| 7b5k | Dec. 3, 2020 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 305.21 g/mol | |||
| HBA | 7 | |||
| HBD | 6 | |||
| HBA + HBD | ||||
| AlogP | -2.56 | |||
| TPSA | 153.94 | |||
| RB | 12 |