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| Ligand Name: 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOURMARIN |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB939 |
PubChem:
196795
|
Synonym(s):
- 126062-22-4
- 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin
- 7-amino-4-chloro-3-(2-bromo-ethoxy)-isocoumarin
- 7-amino-3-(2-bromoethoxy)-4-chloroisochromen-1-one
- abe-cic
- isocoumarin, 6a
- acmc-20mrsy
- chembl153705
- schembl1271526
- bdbm81602
- dtxsid00155064
- 1h-2-benzopyran-1-one,7-amino-3-(2-bromoethoxy)-4-chloro-
- 3-(2-bromoethoxy)-4-chloro-7-aminoisocoumarin
- 7-amino-4-chloro-3-(2-bromoethoxy)isocoumarin
- 7-amino-4-chloro-3-(2-bromoethoxy) isocoumarin
- 7-amino-3-(2-bromoethoxy)-4-chloro-isochromen-1-one
- 7-amino-3-(2-bromoethoxy)-4-chloro-1h-2-benzopyran-1-one
show 16 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL153705 |
| Canonical SMILES: c1cc(N)cc(c12)c(=O)oc(c2Cl)OCCBr |
| Standard InChI: InChI=1S/C11H9BrClNO3/c12-3-4-16-11-9(13)7-2-1-6(14)5-8(7)10(15)17-11/h1-2,5H,3-4,14H2 |
| Molecular Formula: C11H9BrClNO3 |
Mol. Weight: 316.94543 |
logP: 2.8023 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 65.46 |