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| Ligand Name: (2-{[4-(isoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]methyl}phenyl)boronic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB592 |
PubChem:
134159758
|
Synonym(s):
- [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
- 9lq
show 1 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: OB(O)c1ccccc1CN1CCCN(CC1)S(=O)(=O)c1cccc2cnccc12 |
| Standard InChI: InChI=1S/C21H24BN3O4S/c26-22(27)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)30(28,29)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-27H,4,11-14,16H2 |
| Molecular Formula: C21H24BN3O4S |
Mol. Weight: 425.15805 |
logP: 0.8112 |
| HBD: 2 | HBA: 6 |
| #Rotatable Bonds: 5 | TPSA: 93.97 |