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Ligand Name: N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide |
Ligand Type: non-polymer |
Ligand ID: COVPDB997 |
PubChem:
155523627
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Synonym(s):
- chembl4454963
- bdbm50526152
show 1 synonym(s)
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DrugBank: - |
ChEMBL: CHEMBL4454963 |
Canonical SMILES: Cc1cc(on1)CN(C(=O)C=C)c2nc(cs2)-c3ccccc3 |
Standard InChI: InChI=1S/C17H15N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h3-9,11H,1,10H2,2H3 |
Molecular Formula: C17H15N3O2S |
Mol. Weight: 325.0885 |
logP: 3.82572 |
HBD: 0 | HBA: 5 |
#Rotatable Bonds: 5 | TPSA: 59.23 |