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| Ligand Name: 4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB863 |
PubChem:
196678
|
Synonym(s):
- 4-chloro-3-ethoxy-7-guanidinoisocoumarin
- 113251-10-8
- 2-(4-chloro-3-ethoxy-1-oxoisochromen-7-yl)guanidine
- cegic
- acmc-20mhpf
- schembl3363330
- chembl1159876
- dtxsid40150331
- guanidine,n-(4-chloro-3-ethoxy-1-oxo-1h-2-benzopyran-7-yl)-
- 3-ethoxy-4-chloro-7-amidinoamino-1h-2-benzopyran-1-one
show 9 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1159876 |
| Canonical SMILES: CCOc1oc(=O)c2cc(NC(N)=N)ccc2c1Cl |
| Standard InChI: InChI=1S/C12H12ClN3O3/c1-2-18-11-9(13)7-4-3-6(16-12(14)15)5-8(7)10(17)19-11/h3-5H,2H2,1H3,(H4,14,15,16) |
| Molecular Formula: C12H12ClN3O3 |
Mol. Weight: 281.05673 |
logP: 2.15047 |
| HBD: 3 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 101.34 |