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| Ligand Name: [3-bromo-5-(pyrrolidin-1-yl)phenyl]boronic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB381 |
PubChem:
53216507
|
Synonym(s):
- 3-bromo-5-pyrrolidinophenylboronic acid
- 1256355-16-4
- (3-bromo-5-(pyrrolidin-1-yl)phenyl)boronic acid
- 7ns
- acmc-209ayb
- 3-bromo-5-(pyrrolidin-1-yl)phenylboronic acid
- c10h13bbrno2
- dtxsid90681726
- anw-18465
- mfcd17926491
- akos015834224
- zinc169934662
- x1915
- b-2759
- boronic acid, b-[3-bromo-5-(1-pyrrolidinyl)phenyl]-
show 14 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: OB(O)c1cc(Br)cc(c1)N2CCCC2 |
| Standard InChI: InChI=1S/C10H13BBrNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h5-7,14-15H,1-4H2 |
| Molecular Formula: C10H13BBrNO2 |
Mol. Weight: 269.02228 |
logP: 0.7291 |
| HBD: 2 | HBA: 3 |
| #Rotatable Bonds: 2 | TPSA: 43.7 |