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| Ligand Name: methyl 2-[N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamido]acetate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB998 |
PubChem:
155517428
|
Synonym(s):
- chembl4444587
- bdbm50526128
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4444587 |
| Canonical SMILES: COC(=O)CN(C(=O)C=C)c1nc(cs1)-c2ccccc2 |
| Standard InChI: InChI=1S/C15H14N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3 |
| Molecular Formula: C15H14N2O3S |
Mol. Weight: 302.0725 |
logP: 2.5021 |
| HBD: 0 | HBA: 5 |
| #Rotatable Bonds: 5 | TPSA: 59.5 |