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| Ligand Name: 7,7-Dichloro-3alpha-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic Acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1058 |
PubChem:
45379052
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Synonym(s):
- (1s,3s,4s,5s)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid
- q27462396
- (1beta,5beta)-3beta-methoxy-6,6-dichloro-7-oxo-4-thiabicyclo[3.2.0]heptane-2beta-carboxylic acid
- (1s,3s,4s,5s)-7,7-dichloro-3-methoxy-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
show 3 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL1233969 |
| Canonical SMILES: CO[C@H]1S[C@H]2[C@@H]([C@H]1C(O)=O)C(=O)C2(Cl)Cl |
| Standard InChI: InChI=1S/C8H8Cl2O4S/c1-14-7-3(6(12)13)2-4(11)8(9,10)5(2)15-7/h2-3,5,7H,1H3,(H,12,13)/t2-,3-,5-,7-/m0/s1 |
| Molecular Formula: C8H8Cl2O4S |
Mol. Weight: 269.95203 |
logP: 1.1479 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 2 | TPSA: 63.6 |