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| Ligand Name: 3-bromophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1307 |
PubChem:
44405796
|
Synonym(s):
- chembl443830
- schembl14642282
- 6-chloromethyl-2-oxo-2h-1-benzopyran-3-carboxylic acid 3-bromophenyl ester
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL443830 |
| Canonical SMILES: ClCc(c1)ccc(c12)oc(=O)c(c2)C(=O)Oc3cccc(Br)c3 |
| Standard InChI: InChI=1S/C17H10BrClO4/c18-12-2-1-3-13(8-12)22-16(20)14-7-11-6-10(9-19)4-5-15(11)23-17(14)21/h1-8H,9H2 |
| Molecular Formula: C17H10BrClO4 |
Mol. Weight: 391.9451 |
logP: 4.5135 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 56.51 |