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| Ligand Name: penem 1 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB68 |
PubChem:
53319078
|
Synonym(s):
- penem-1
- schembl2928233
- schembl2928235
- chembl1673091
- bdbm50486724
- (5r,6z)-6-(4,6-dihydropyrazolo[1,5-c][1,3]thiazol-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1673091 |
| Canonical SMILES: OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1 |
| Standard InChI: InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/b8-2-/t11-/m1/s1 |
| Molecular Formula: C12H9N3O3S2 |
Mol. Weight: 307.00854 |
logP: 1.3119 |
| HBD: 1 | HBA: 6 |
| #Rotatable Bonds: 2 | TPSA: 75.43 |