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| Ligand Name: tert-butyl 4-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoxaline-1-carboxylate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB477 |
PubChem:
139520242
|
Synonym(s):
- chembl4544461
- schembl21393191
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4544461 |
| Canonical SMILES: c1cccc(c12)N(C(=O)C=C)CCN2C(=O)OC(C)(C)C |
| Standard InChI: InChI=1S/C16H20N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h5-9H,1,10-11H2,2-4H3 |
| Molecular Formula: C16H20N2O3 |
Mol. Weight: 288.1474 |
logP: 2.9607 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 1 | TPSA: 49.85 |