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| Ligand Name: 3‐chlorophenyl 6‐(chloromethyl)coumarin‐3‐carboxylate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1062 |
PubChem:
402516
|
Synonym(s):
- nsc716542
- chembl315567
- schembl14642315
- nsc-716542
- nci60_040299
- 3-chlorophenyl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate
- 6-chloromethyl-2-oxo-2h-1-benzopyran-3-carboxylic acid 3-chlorophenyl ester
show 6 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL315567 |
| Canonical SMILES: ClCc(cc1)cc(c12)cc(c(o2)=O)C(=O)Oc3cccc(Cl)c3 |
| Standard InChI: InChI=1S/C17H10Cl2O4/c18-9-10-4-5-15-11(6-10)7-14(17(21)23-15)16(20)22-13-3-1-2-12(19)8-13/h1-8H,9H2 |
| Molecular Formula: C17H10Cl2O4 |
Mol. Weight: 347.9956 |
logP: 4.4044 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 56.51 |