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| Ligand Name: 7-AMINO-3-(2-PHENYLETHOXY)-4-CHLOROISOCOUMARIN |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1328 |
PubChem:
13654068
|
Synonym(s):
- schembl7319011
- 7-amino-4-chloro-3-(2-phenylethoxy)isocoumarin
- 7-amino-4-chloro-3-(2-phenylethoxy)isochromen-1-one
- 7-amino-4-chloro-3-[(2-phenyl)ethoxy]-1h-2-benzopyran-1-one
show 3 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: c1cc(N)cc(c12)c(=O)oc(c2Cl)OCCc3ccccc3 |
| Standard InChI: InChI=1S/C17H14ClNO3/c18-15-13-7-6-12(19)10-14(13)16(20)22-17(15)21-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,19H2 |
| Molecular Formula: C17H14ClNO3 |
Mol. Weight: 315.06622 |
logP: 3.6501 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 4 | TPSA: 65.46 |